1-[[(3-aminocyclohexyl)-methylamino]methyl]cyclopentan-1-ol

C13H26N2O — CID 114953874

IUPAC1-[[(3-aminocyclohexyl)-methylamino]methyl]cyclopentan-1-ol
SMILESCN(CC1(O)CCCC1)C1CCCC(N)C1
InChIInChI=1S/C13H26N2O/c1-15(10-13(16)7-2-3-8-13)12-6-4-5-11(14)9-12/h11-12,16H,2-10,14H2,1H3
InChIKeyPXXSIYUXYHQXGH-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.49
Rot. Bonds3

About 1-[[(3-aminocyclohexyl)-methylamino]methyl]cyclopentan-1-ol

1-[[(3-aminocyclohexyl)-methylamino]methyl]cyclopentan-1-ol (PubChem CID 114953874) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-[[(3-aminocyclohexyl)-methylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[(3-aminocyclohexyl)-methylamino]methyl]cyclopentan-1-ol
PubChem CID114953874
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name1-[[(3-aminocyclohexyl)-methylamino]methyl]cyclopentan-1-ol
SMILESCN(CC1(O)CCCC1)C1CCCC(N)C1
InChIInChI=1S/C13H26N2O/c1-15(10-13(16)7-2-3-8-13)12-6-4-5-11(14)9-12/h11-12,16H,2-10,14H2,1H3
InChIKeyPXXSIYUXYHQXGH-UHFFFAOYSA-N
XLogP1.49
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(4-aminocyclohexyl)-methylamino]methyl]cyclopropan-1-ol
CID 172599097
1-[[methyl(oxetan-3-yl)amino]methyl]cyclopentan-1-ol
CID 131153818
1-[[methyl-[4-(methylamino)cyclohexyl]amino]methyl]cyclohexan-1-ol
CID 79122134
1-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]cyclopentan-1-ol
CID 65212623
3-amino-N-[(1-hydroxycyclopentyl)methyl]-N-methylcyclopentane-1-carboxamide
CID 114949026
2-[(3-aminocyclohexyl)-methylamino]acetamide
CID 79467648
1-[(dimethylamino)methyl]cycloheptan-1-ol
CID 104550048
cis-(1S,3R)-1-N,1-N-dimethylcyclohexane-1,3-diamine
CID 86328477
1-N-[3-(dimethylamino)propyl]-1-N-methylcyclohexane-1,3-diamine
CID 79469197
2-[(3-aminocyclohexyl)-methylamino]-N-ethylacetamide
CID 79469564
1-[[methyl(6-oxaspiro[4.5]decan-9-yl)amino]methyl]cyclopentan-1-ol
CID 114952577
1-[[(2-hydroxycyclohexyl)-methylamino]methyl]cyclohexan-1-ol
CID 102635783

Frequently Asked Questions

What is the IUPAC name of 1-[[(3-aminocyclohexyl)-methylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[(3-aminocyclohexyl)-methylamino]methyl]cyclopentan-1-ol (CID 114953874) is 1-[[(3-aminocyclohexyl)-methylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[(3-aminocyclohexyl)-methylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[(3-aminocyclohexyl)-methylamino]methyl]cyclopentan-1-ol is CN(CC1(O)CCCC1)C1CCCC(N)C1.
What is the InChIKey of 1-[[(3-aminocyclohexyl)-methylamino]methyl]cyclopentan-1-ol?
The InChIKey is PXXSIYUXYHQXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-15(10-13(16)7-2-3-8-13)12-6-4-5-11(14)9-12/h11-12,16H,2-10,14H2,1H3.
What are the key properties of 1-[[(3-aminocyclohexyl)-methylamino]methyl]cyclopentan-1-ol?
1-[[(3-aminocyclohexyl)-methylamino]methyl]cyclopentan-1-ol has a molecular weight of 226.36 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3-aminocyclohexyl)-methylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 114953874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).