[4-(5-methylhexan-2-ylamino)cyclohexyl]methanol

C14H29NO — CID 103788564

IUPAC[4-(5-methylhexan-2-ylamino)cyclohexyl]methanol
SMILESCC(C)CCC(C)NC1CCC(CO)CC1
InChIInChI=1S/C14H29NO/c1-11(2)4-5-12(3)15-14-8-6-13(10-16)7-9-14/h11-16H,4-10H2,1-3H3
InChIKeyAESOHJUYEAWVMZ-UHFFFAOYSA-N
MW227.39 g/mol
LogP2.95
Rot. Bonds6

About [4-(5-methylhexan-2-ylamino)cyclohexyl]methanol

[4-(5-methylhexan-2-ylamino)cyclohexyl]methanol (PubChem CID 103788564) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is [4-(5-methylhexan-2-ylamino)cyclohexyl]methanol.

Molecular Properties

Compound Name[4-(5-methylhexan-2-ylamino)cyclohexyl]methanol
PubChem CID103788564
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name[4-(5-methylhexan-2-ylamino)cyclohexyl]methanol
SMILESCC(C)CCC(C)NC1CCC(CO)CC1
InChIInChI=1S/C14H29NO/c1-11(2)4-5-12(3)15-14-8-6-13(10-16)7-9-14/h11-16H,4-10H2,1-3H3
InChIKeyAESOHJUYEAWVMZ-UHFFFAOYSA-N
XLogP2.95
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,4-N-bis(5-methylhexan-2-yl)cyclohexane-1,4-diamine
CID 90346860
[4-(1-cyclopropylpropan-2-ylamino)cyclohexyl]methanol
CID 103788562
[4-(heptan-2-ylamino)cyclohexyl]methanol
CID 103788540
(4R)-4-[(4-ethylcyclohexyl)amino]pentan-1-ol
CID 97051577
ethyl 4-(5-methylhexan-2-ylamino)cyclohexane-1-carboxylate
CID 54866990
(3R)-3-(cyclopentylamino)butan-1-ol
CID 103854696
3-(5-methylhexan-2-ylamino)cyclohexan-1-ol
CID 43751238
3-(hydroxymethyl)-N-(5-methylhexan-2-yl)pyrrolidine-1-carboxamide
CID 111443461
[(1R,3S)-3-(propan-2-ylamino)cyclopentyl]methanol
CID 170669831
3-methyl-N-(5-methylhexan-2-yl)cyclohexan-1-amine
CID 43079319
(4R)-4-(cyclopentylamino)pentan-1-ol
CID 97051526
4-(cyclopentylamino)pentan-1-ol
CID 75356492

Frequently Asked Questions

What is the IUPAC name of [4-(5-methylhexan-2-ylamino)cyclohexyl]methanol?
The IUPAC name of [4-(5-methylhexan-2-ylamino)cyclohexyl]methanol (CID 103788564) is [4-(5-methylhexan-2-ylamino)cyclohexyl]methanol.
What is the SMILES notation for [4-(5-methylhexan-2-ylamino)cyclohexyl]methanol?
The canonical SMILES for [4-(5-methylhexan-2-ylamino)cyclohexyl]methanol is CC(C)CCC(C)NC1CCC(CO)CC1.
What is the InChIKey of [4-(5-methylhexan-2-ylamino)cyclohexyl]methanol?
The InChIKey is AESOHJUYEAWVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-11(2)4-5-12(3)15-14-8-6-13(10-16)7-9-14/h11-16H,4-10H2,1-3H3.
What are the key properties of [4-(5-methylhexan-2-ylamino)cyclohexyl]methanol?
[4-(5-methylhexan-2-ylamino)cyclohexyl]methanol has a molecular weight of 227.39 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-methylhexan-2-ylamino)cyclohexyl]methanol is sourced from PubChem (CID 103788564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).