1-(3-aminopropyl)cyclopentan-1-ol;tert-butyl N-[[1-[2-(1-hydroxycyclopentyl)ethyl]-5-oxo-4H-pyrazol-3-yl]methyl]-N-methylcarbamate;ethyl 2-(1-hydroxycyclopentyl)acetate;1-(2-hydroxyethyl)cyclopentan-1-ol;methane

C42H80N4O10 — CID 158915463

IUPAC1-(3-aminopropyl)cyclopentan-1-ol;tert-butyl N-[[1-[2-(1-hydroxycyclopentyl)ethyl]-5-oxo-4H-pyrazol-3-yl]methyl]-N-methylcarbamate;ethyl 2-(1-hydroxycyclopentyl)acetate;1-(2-hydroxyethyl)cyclopentan-1-ol;methane
SMILESC.CCOC(=O)CC1(O)CCCC1.CN(CC1=NN(CCC2(O)CCCC2)C(=O)C1)C(=O)OC(C)(C)C.NCCCC1(O)CCCC1.OCCC1(O)CCCC1
InChIInChI=1S/C17H29N3O4.C9H16O3.C8H17NO.C7H14O2.CH4/c1-16(2,3)24-15(22)19(4)12-13-11-14(21)20(18-13)10-9-17(23)7-5-6-8-17;1-2-12-8(10)7-9(11)5-3-4-6-9;9-7-3-6-8(10)4-1-2-5-8;8-6-5-7(9)3-1-2-4-7;/h23H,5-12H2,1-4H3;11H,2-7H2,1H3;10H,1-7,9H2;8-9H,1-6H2;1H4
InChIKeyJHEFFBMIPZDBTH-UHFFFAOYSA-N
MW801.12 g/mol
LogP5.72
Rot. Bonds13

About 1-(3-aminopropyl)cyclopentan-1-ol;tert-butyl N-[[1-[2-(1-hydroxycyclopentyl)ethyl]-5-oxo-4H-pyrazol-3-yl]methyl]-N-methylcarbamate;ethyl 2-(1-hydroxycyclopentyl)acetate;1-(2-hydroxyethyl)cyclopentan-1-ol;methane

1-(3-aminopropyl)cyclopentan-1-ol;tert-butyl N-[[1-[2-(1-hydroxycyclopentyl)ethyl]-5-oxo-4H-pyrazol-3-yl]methyl]-N-methylcarbamate;ethyl 2-(1-hydroxycyclopentyl)acetate;1-(2-hydroxyethyl)cyclopentan-1-ol;methane (PubChem CID 158915463) has the molecular formula C42H80N4O10 and a molecular weight of 801.12 g/mol. Its IUPAC name is 1-(3-aminopropyl)cyclopentan-1-ol;tert-butyl N-[[1-[2-(1-hydroxycyclopentyl)ethyl]-5-oxo-4H-pyrazol-3-yl]methyl]-N-methylcarbamate;ethyl 2-(1-hydroxycyclopentyl)acetate;1-(2-hydroxyethyl)cyclopentan-1-ol;methane.

Molecular Properties

Compound Name1-(3-aminopropyl)cyclopentan-1-ol;tert-butyl N-[[1-[2-(1-hydroxycyclopentyl)ethyl]-5-oxo-4H-pyrazol-3-yl]methyl]-N-methylcarbamate;ethyl 2-(1-hydroxycyclopentyl)acetate;1-(2-hydroxyethyl)cyclopentan-1-ol;methane
PubChem CID158915463
Molecular FormulaC42H80N4O10
Molecular Weight801.12 g/mol
Exact Mass800.59
IUPAC Name1-(3-aminopropyl)cyclopentan-1-ol;tert-butyl N-[[1-[2-(1-hydroxycyclopentyl)ethyl]-5-oxo-4H-pyrazol-3-yl]methyl]-N-methylcarbamate;ethyl 2-(1-hydroxycyclopentyl)acetate;1-(2-hydroxyethyl)cyclopentan-1-ol;methane
SMILESC.CCOC(=O)CC1(O)CCCC1.CN(CC1=NN(CCC2(O)CCCC2)C(=O)C1)C(=O)OC(C)(C)C.NCCCC1(O)CCCC1.OCCC1(O)CCCC1
InChIInChI=1S/C17H29N3O4.C9H16O3.C8H17NO.C7H14O2.CH4/c1-16(2,3)24-15(22)19(4)12-13-11-14(21)20(18-13)10-9-17(23)7-5-6-8-17;1-2-12-8(10)7-9(11)5-3-4-6-9;9-7-3-6-8(10)4-1-2-5-8;8-6-5-7(9)3-1-2-4-7;/h23H,5-12H2,1-4H3;11H,2-7H2,1H3;10H,1-7,9H2;8-9H,1-6H2;1H4
InChIKeyJHEFFBMIPZDBTH-UHFFFAOYSA-N
XLogP5.72
TPSA215.68 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds13
Heavy Atoms56
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500801.12
LogP ≤ 55.72
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

Analyze 1-(3-aminopropyl)cyclopentan-1-ol;tert-butyl N-[[1-[2-(1-hydroxycyclopentyl)ethyl]-5-oxo-4H-pyrazol-3-yl]methyl]-N-methylcarbamate;ethyl 2-(1-hydroxycyclopentyl)acetate;1-(2-hydroxyethyl)cyclopentan-1-ol;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)cyclopentan-1-ol;tert-butyl N-[[1-[2-(1-hydroxycyclopentyl)ethyl]-5-oxo-4H-pyrazol-3-yl]methyl]-N-methylcarbamate;ethyl 2-(1-hydroxycyclopentyl)acetate;1-(2-hydroxyethyl)cyclopentan-1-ol;methane?
The IUPAC name of 1-(3-aminopropyl)cyclopentan-1-ol;tert-butyl N-[[1-[2-(1-hydroxycyclopentyl)ethyl]-5-oxo-4H-pyrazol-3-yl]methyl]-N-methylcarbamate;ethyl 2-(1-hydroxycyclopentyl)acetate;1-(2-hydroxyethyl)cyclopentan-1-ol;methane (CID 158915463) is 1-(3-aminopropyl)cyclopentan-1-ol;tert-butyl N-[[1-[2-(1-hydroxycyclopentyl)ethyl]-5-oxo-4H-pyrazol-3-yl]methyl]-N-methylcarbamate;ethyl 2-(1-hydroxycyclopentyl)acetate;1-(2-hydroxyethyl)cyclopentan-1-ol;methane.
What is the SMILES notation for 1-(3-aminopropyl)cyclopentan-1-ol;tert-butyl N-[[1-[2-(1-hydroxycyclopentyl)ethyl]-5-oxo-4H-pyrazol-3-yl]methyl]-N-methylcarbamate;ethyl 2-(1-hydroxycyclopentyl)acetate;1-(2-hydroxyethyl)cyclopentan-1-ol;methane?
The canonical SMILES for 1-(3-aminopropyl)cyclopentan-1-ol;tert-butyl N-[[1-[2-(1-hydroxycyclopentyl)ethyl]-5-oxo-4H-pyrazol-3-yl]methyl]-N-methylcarbamate;ethyl 2-(1-hydroxycyclopentyl)acetate;1-(2-hydroxyethyl)cyclopentan-1-ol;methane is C.CCOC(=O)CC1(O)CCCC1.CN(CC1=NN(CCC2(O)CCCC2)C(=O)C1)C(=O)OC(C)(C)C.NCCCC1(O)CCCC1.OCCC1(O)CCCC1.
What is the InChIKey of 1-(3-aminopropyl)cyclopentan-1-ol;tert-butyl N-[[1-[2-(1-hydroxycyclopentyl)ethyl]-5-oxo-4H-pyrazol-3-yl]methyl]-N-methylcarbamate;ethyl 2-(1-hydroxycyclopentyl)acetate;1-(2-hydroxyethyl)cyclopentan-1-ol;methane?
The InChIKey is JHEFFBMIPZDBTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O4.C9H16O3.C8H17NO.C7H14O2.CH4/c1-16(2,3)24-15(22)19(4)12-13-11-14(21)20(18-13)10-9-17(23)7-5-6-8-17;1-2-12-8(10)7-9(11)5-3-4-6-9;9-7-3-6-8(10)4-1-2-5-8;8-6-5-7(9)3-1-2-4-7;/h23H,5-12H2,1-4H3;11H,2-7H2,1H3;10H,1-7,9H2;8-9H,1-6H2;1H4.
What are the key properties of 1-(3-aminopropyl)cyclopentan-1-ol;tert-butyl N-[[1-[2-(1-hydroxycyclopentyl)ethyl]-5-oxo-4H-pyrazol-3-yl]methyl]-N-methylcarbamate;ethyl 2-(1-hydroxycyclopentyl)acetate;1-(2-hydroxyethyl)cyclopentan-1-ol;methane?
1-(3-aminopropyl)cyclopentan-1-ol;tert-butyl N-[[1-[2-(1-hydroxycyclopentyl)ethyl]-5-oxo-4H-pyrazol-3-yl]methyl]-N-methylcarbamate;ethyl 2-(1-hydroxycyclopentyl)acetate;1-(2-hydroxyethyl)cyclopentan-1-ol;methane has a molecular weight of 801.12 g/mol, XLogP of 5.72, 13 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)cyclopentan-1-ol;tert-butyl N-[[1-[2-(1-hydroxycyclopentyl)ethyl]-5-oxo-4H-pyrazol-3-yl]methyl]-N-methylcarbamate;ethyl 2-(1-hydroxycyclopentyl)acetate;1-(2-hydroxyethyl)cyclopentan-1-ol;methane is sourced from PubChem (CID 158915463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).