N'-cyclopentyl-N'-methyl-N-spiro[4.5]decan-8-ylethane-1,2-diamine

C18H34N2 — CID 114817655

IUPACN'-cyclopentyl-N'-methyl-N-spiro[4.5]decan-8-ylethane-1,2-diamine
SMILESCN(CCNC1CCC2(CCCC2)CC1)C1CCCC1
InChIInChI=1S/C18H34N2/c1-20(17-6-2-3-7-17)15-14-19-16-8-12-18(13-9-16)10-4-5-11-18/h16-17,19H,2-15H2,1H3
InChIKeyJHYPVOGWVUCHJC-UHFFFAOYSA-N
MW278.48 g/mol
LogP3.95
Rot. Bonds5

About N'-cyclopentyl-N'-methyl-N-spiro[4.5]decan-8-ylethane-1,2-diamine

N'-cyclopentyl-N'-methyl-N-spiro[4.5]decan-8-ylethane-1,2-diamine (PubChem CID 114817655) has the molecular formula C18H34N2 and a molecular weight of 278.48 g/mol. Its IUPAC name is N'-cyclopentyl-N'-methyl-N-spiro[4.5]decan-8-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopentyl-N'-methyl-N-spiro[4.5]decan-8-ylethane-1,2-diamine
PubChem CID114817655
Molecular FormulaC18H34N2
Molecular Weight278.48 g/mol
Exact Mass278.27
IUPAC NameN'-cyclopentyl-N'-methyl-N-spiro[4.5]decan-8-ylethane-1,2-diamine
SMILESCN(CCNC1CCC2(CCCC2)CC1)C1CCCC1
InChIInChI=1S/C18H34N2/c1-20(17-6-2-3-7-17)15-14-19-16-8-12-18(13-9-16)10-4-5-11-18/h16-17,19H,2-15H2,1H3
InChIKeyJHYPVOGWVUCHJC-UHFFFAOYSA-N
XLogP3.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.48
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N'-dicyclopentyl-N'-methylethane-1,2-diamine
CID 60850716
N',N'-dimethyl-N-spiro[4.5]decan-8-ylethane-1,2-diamine
CID 114816994
N'-cyclohexyl-N'-methyl-N-(oxan-4-yl)ethane-1,2-diamine
CID 63098109
N'-cyclopentyl-N'-methyl-N-(4-propylcyclohexyl)ethane-1,2-diamine
CID 63462451
N'-cyclopentyl-N'-methyl-N-(3-methylcyclohexyl)ethane-1,2-diamine
CID 62576013
N-cyclopropyl-N'-methyl-N'-(3-methylcyclohexyl)ethane-1,2-diamine
CID 61447072
N-(2-fluoroethyl)spiro[4.5]decan-8-amine
CID 130503762
N'-cyclopentyl-N-(2,6-dioxaspiro[4.5]decan-9-yl)-N'-methylethane-1,2-diamine
CID 79903270
N-cyclopropyl-N'-(4-ethylcyclohexyl)-N'-methylethane-1,2-diamine
CID 61449433
N-(2-cyclopentyloxyethyl)spiro[4.5]decan-8-amine
CID 114817665
N'-cyclohexyl-N-(1,1-dioxothian-4-yl)-N'-methylpropane-1,3-diamine
CID 60980818
3-(spiro[4.5]decan-8-ylamino)propan-1-ol
CID 114817188

Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyl-N'-methyl-N-spiro[4.5]decan-8-ylethane-1,2-diamine?
The IUPAC name of N'-cyclopentyl-N'-methyl-N-spiro[4.5]decan-8-ylethane-1,2-diamine (CID 114817655) is N'-cyclopentyl-N'-methyl-N-spiro[4.5]decan-8-ylethane-1,2-diamine.
What is the SMILES notation for N'-cyclopentyl-N'-methyl-N-spiro[4.5]decan-8-ylethane-1,2-diamine?
The canonical SMILES for N'-cyclopentyl-N'-methyl-N-spiro[4.5]decan-8-ylethane-1,2-diamine is CN(CCNC1CCC2(CCCC2)CC1)C1CCCC1.
What is the InChIKey of N'-cyclopentyl-N'-methyl-N-spiro[4.5]decan-8-ylethane-1,2-diamine?
The InChIKey is JHYPVOGWVUCHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2/c1-20(17-6-2-3-7-17)15-14-19-16-8-12-18(13-9-16)10-4-5-11-18/h16-17,19H,2-15H2,1H3.
What are the key properties of N'-cyclopentyl-N'-methyl-N-spiro[4.5]decan-8-ylethane-1,2-diamine?
N'-cyclopentyl-N'-methyl-N-spiro[4.5]decan-8-ylethane-1,2-diamine has a molecular weight of 278.48 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-N'-methyl-N-spiro[4.5]decan-8-ylethane-1,2-diamine is sourced from PubChem (CID 114817655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).