1-(aminomethyl)-2-[2-[methyl(oxan-4-yl)amino]ethyl]cyclopentan-1-ol

C14H28N2O2 — CID 79586662

IUPAC1-(aminomethyl)-2-[2-[methyl(oxan-4-yl)amino]ethyl]cyclopentan-1-ol
SMILESCN(CCC1CCCC1(O)CN)C1CCOCC1
InChIInChI=1S/C14H28N2O2/c1-16(13-5-9-18-10-6-13)8-4-12-3-2-7-14(12,17)11-15/h12-13,17H,2-11,15H2,1H3
InChIKeyKNVBDOLBOZPDDL-UHFFFAOYSA-N
MW256.39 g/mol
LogP0.98
Rot. Bonds5

About 1-(aminomethyl)-2-[2-[methyl(oxan-4-yl)amino]ethyl]cyclopentan-1-ol

1-(aminomethyl)-2-[2-[methyl(oxan-4-yl)amino]ethyl]cyclopentan-1-ol (PubChem CID 79586662) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 1-(aminomethyl)-2-[2-[methyl(oxan-4-yl)amino]ethyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-(aminomethyl)-2-[2-[methyl(oxan-4-yl)amino]ethyl]cyclopentan-1-ol
PubChem CID79586662
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name1-(aminomethyl)-2-[2-[methyl(oxan-4-yl)amino]ethyl]cyclopentan-1-ol
SMILESCN(CCC1CCCC1(O)CN)C1CCOCC1
InChIInChI=1S/C14H28N2O2/c1-16(13-5-9-18-10-6-13)8-4-12-3-2-7-14(12,17)11-15/h12-13,17H,2-11,15H2,1H3
InChIKeyKNVBDOLBOZPDDL-UHFFFAOYSA-N
XLogP0.98
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-amino-2-[2-[methyl(oxan-4-yl)amino]ethyl]cyclopentyl]methanol
CID 79571590
[1-(cyclopropylamino)-2-[2-[methyl(oxan-4-yl)amino]ethyl]cyclopentyl]methanol
CID 79568172
1-(aminomethyl)-2-[2-[methyl(oxan-2-ylmethyl)amino]ethyl]cyclopentan-1-ol
CID 79587854
1-(aminomethyl)-2-[2-[bis(cyclopropylmethyl)amino]ethyl]cyclopentan-1-ol
CID 79586819
[2-[2-[methyl(oxan-4-yl)amino]ethyl]-1-(propylamino)cyclopentyl]methanol
CID 79568301
N-[1-(aminomethyl)-2-ethylcyclopentyl]-N-methyloxan-4-amine
CID 113483713
1-(aminomethyl)-2-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethyl]cyclopentan-1-ol
CID 79588323
N'-methyl-N'-(oxan-4-yl)butane-1,4-diamine
CID 43610795
[1-amino-2-[2-[methyl-(4-methylcyclohexyl)amino]ethyl]cyclopentyl]methanol
CID 79570968
1-(aminomethyl)-2-[2-(3-ethylmorpholin-4-yl)ethyl]cyclopentan-1-ol
CID 79586937
1-(aminomethyl)-2-[2-(4,4-dimethylpiperidin-1-yl)ethyl]cyclopentan-1-ol
CID 79587379
1-(aminomethyl)-2-[2-(2,6-dimethylpiperidin-1-yl)ethyl]cyclopentan-1-ol
CID 79588423

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-2-[2-[methyl(oxan-4-yl)amino]ethyl]cyclopentan-1-ol?
The IUPAC name of 1-(aminomethyl)-2-[2-[methyl(oxan-4-yl)amino]ethyl]cyclopentan-1-ol (CID 79586662) is 1-(aminomethyl)-2-[2-[methyl(oxan-4-yl)amino]ethyl]cyclopentan-1-ol.
What is the SMILES notation for 1-(aminomethyl)-2-[2-[methyl(oxan-4-yl)amino]ethyl]cyclopentan-1-ol?
The canonical SMILES for 1-(aminomethyl)-2-[2-[methyl(oxan-4-yl)amino]ethyl]cyclopentan-1-ol is CN(CCC1CCCC1(O)CN)C1CCOCC1.
What is the InChIKey of 1-(aminomethyl)-2-[2-[methyl(oxan-4-yl)amino]ethyl]cyclopentan-1-ol?
The InChIKey is KNVBDOLBOZPDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-16(13-5-9-18-10-6-13)8-4-12-3-2-7-14(12,17)11-15/h12-13,17H,2-11,15H2,1H3.
What are the key properties of 1-(aminomethyl)-2-[2-[methyl(oxan-4-yl)amino]ethyl]cyclopentan-1-ol?
1-(aminomethyl)-2-[2-[methyl(oxan-4-yl)amino]ethyl]cyclopentan-1-ol has a molecular weight of 256.39 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-2-[2-[methyl(oxan-4-yl)amino]ethyl]cyclopentan-1-ol is sourced from PubChem (CID 79586662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).