2-[[(3,3-dimethylcyclopentyl)amino]methyl]cyclohexan-1-ol

C14H27NO — CID 80705865

IUPAC2-[[(3,3-dimethylcyclopentyl)amino]methyl]cyclohexan-1-ol
SMILESCC1(C)CCC(NCC2CCCCC2O)C1
InChIInChI=1S/C14H27NO/c1-14(2)8-7-12(9-14)15-10-11-5-3-4-6-13(11)16/h11-13,15-16H,3-10H2,1-2H3
InChIKeyHJNYPSDNUMUOJI-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.71
Rot. Bonds3

About 2-[[(3,3-dimethylcyclopentyl)amino]methyl]cyclohexan-1-ol

2-[[(3,3-dimethylcyclopentyl)amino]methyl]cyclohexan-1-ol (PubChem CID 80705865) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 2-[[(3,3-dimethylcyclopentyl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[(3,3-dimethylcyclopentyl)amino]methyl]cyclohexan-1-ol
PubChem CID80705865
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name2-[[(3,3-dimethylcyclopentyl)amino]methyl]cyclohexan-1-ol
SMILESCC1(C)CCC(NCC2CCCCC2O)C1
InChIInChI=1S/C14H27NO/c1-14(2)8-7-12(9-14)15-10-11-5-3-4-6-13(11)16/h11-13,15-16H,3-10H2,1-2H3
InChIKeyHJNYPSDNUMUOJI-UHFFFAOYSA-N
XLogP2.71
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(cycloheptylamino)methyl]cyclohexan-1-ol
CID 64928206
trans-(1R,2R)-2-[(cyclohexylamino)methyl]cyclopentan-1-ol
CID 15716295
2-[[(2,2-dimethylcyclohexyl)amino]methyl]cyclopentan-1-ol
CID 79836296
2-[[(3-methylcyclohexyl)amino]methyl]cyclohexan-1-ol
CID 64929988
3,3-dimethyl-N-(piperidin-3-ylmethyl)cyclopentan-1-amine
CID 114544120
N-[(2-cyclopentyl-4,4-dimethylcyclohexyl)methyl]cyclopropanamine
CID 81030507
2-[(thietan-3-ylamino)methyl]cyclopentan-1-ol
CID 130951867
3,3-dimethyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]cyclohexan-1-amine
CID 79353545
(1S)-N-(cyclopropylmethyl)-3,3-dimethylcyclohexan-1-amine
CID 95371246
2-[(azepan-4-ylamino)methyl]cyclopentan-1-ol
CID 103982373
2-[[(1-oxothian-4-yl)amino]methyl]cyclohexan-1-ol
CID 64928655
2-[(3,3-dimethylcyclopentyl)amino]-N-propan-2-ylacetamide
CID 80692862

Frequently Asked Questions

What is the IUPAC name of 2-[[(3,3-dimethylcyclopentyl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 2-[[(3,3-dimethylcyclopentyl)amino]methyl]cyclohexan-1-ol (CID 80705865) is 2-[[(3,3-dimethylcyclopentyl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[[(3,3-dimethylcyclopentyl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[[(3,3-dimethylcyclopentyl)amino]methyl]cyclohexan-1-ol is CC1(C)CCC(NCC2CCCCC2O)C1.
What is the InChIKey of 2-[[(3,3-dimethylcyclopentyl)amino]methyl]cyclohexan-1-ol?
The InChIKey is HJNYPSDNUMUOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-14(2)8-7-12(9-14)15-10-11-5-3-4-6-13(11)16/h11-13,15-16H,3-10H2,1-2H3.
What are the key properties of 2-[[(3,3-dimethylcyclopentyl)amino]methyl]cyclohexan-1-ol?
2-[[(3,3-dimethylcyclopentyl)amino]methyl]cyclohexan-1-ol has a molecular weight of 225.38 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3,3-dimethylcyclopentyl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 80705865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).