3-[[(3-aminocyclopentyl)amino]methyl]hexan-1-ol

C12H26N2O — CID 106114664

IUPAC3-[[(3-aminocyclopentyl)amino]methyl]hexan-1-ol
SMILESCCCC(CCO)CNC1CCC(N)C1
InChIInChI=1S/C12H26N2O/c1-2-3-10(6-7-15)9-14-12-5-4-11(13)8-12/h10-12,14-15H,2-9,13H2,1H3
InChIKeyGTBAEPRWHIILJC-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.25
Rot. Bonds7

About 3-[[(3-aminocyclopentyl)amino]methyl]hexan-1-ol

3-[[(3-aminocyclopentyl)amino]methyl]hexan-1-ol (PubChem CID 106114664) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 3-[[(3-aminocyclopentyl)amino]methyl]hexan-1-ol.

Molecular Properties

Compound Name3-[[(3-aminocyclopentyl)amino]methyl]hexan-1-ol
PubChem CID106114664
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name3-[[(3-aminocyclopentyl)amino]methyl]hexan-1-ol
SMILESCCCC(CCO)CNC1CCC(N)C1
InChIInChI=1S/C12H26N2O/c1-2-3-10(6-7-15)9-14-12-5-4-11(13)8-12/h10-12,14-15H,2-9,13H2,1H3
InChIKeyGTBAEPRWHIILJC-UHFFFAOYSA-N
XLogP1.25
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(3-methylcyclohexyl)amino]methyl]hexan-1-ol
CID 115660374
3-[(thian-4-ylamino)methyl]hexan-1-ol
CID 111470638
3-[(thietan-3-ylamino)methyl]hexan-1-ol
CID 135393035
3-[(thiolan-3-ylamino)methyl]hexan-1-ol
CID 115725378
3-[[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]methyl]hexan-1-ol
CID 103787444
trans-(1R,2R)-2-[2-(2-hydroxyethyl)pentylamino]cyclopentan-1-ol
CID 106115022
1-[4-[2-(2-hydroxyethyl)pentylamino]piperidin-1-yl]ethanone
CID 103707935
3-[(thian-3-ylamino)methyl]hexan-1-ol
CID 115882200
2-[(cyclobutylamino)methyl]pentan-1-ol
CID 117241776
3-[[(2-ethyl-2-methyloxan-4-yl)amino]methyl]hexan-1-ol
CID 106114365
N-[2-(2-methoxyethyl)pentyl]cyclopropanamine
CID 62528132
1-[(3-aminocyclopentyl)amino]-4,4-dimethylpentan-2-ol
CID 107151493

Frequently Asked Questions

What is the IUPAC name of 3-[[(3-aminocyclopentyl)amino]methyl]hexan-1-ol?
The IUPAC name of 3-[[(3-aminocyclopentyl)amino]methyl]hexan-1-ol (CID 106114664) is 3-[[(3-aminocyclopentyl)amino]methyl]hexan-1-ol.
What is the SMILES notation for 3-[[(3-aminocyclopentyl)amino]methyl]hexan-1-ol?
The canonical SMILES for 3-[[(3-aminocyclopentyl)amino]methyl]hexan-1-ol is CCCC(CCO)CNC1CCC(N)C1.
What is the InChIKey of 3-[[(3-aminocyclopentyl)amino]methyl]hexan-1-ol?
The InChIKey is GTBAEPRWHIILJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-2-3-10(6-7-15)9-14-12-5-4-11(13)8-12/h10-12,14-15H,2-9,13H2,1H3.
What are the key properties of 3-[[(3-aminocyclopentyl)amino]methyl]hexan-1-ol?
3-[[(3-aminocyclopentyl)amino]methyl]hexan-1-ol has a molecular weight of 214.35 g/mol, XLogP of 1.25, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3-aminocyclopentyl)amino]methyl]hexan-1-ol is sourced from PubChem (CID 106114664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).