3-(5-methylhexan-2-ylamino)cyclohexan-1-ol

C13H27NO — CID 43751238

IUPAC3-(5-methylhexan-2-ylamino)cyclohexan-1-ol
SMILESCC(C)CCC(C)NC1CCCC(O)C1
InChIInChI=1S/C13H27NO/c1-10(2)7-8-11(3)14-12-5-4-6-13(15)9-12/h10-15H,4-9H2,1-3H3
InChIKeySEGKTLWQCCKKHN-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.70
Rot. Bonds5

About 3-(5-methylhexan-2-ylamino)cyclohexan-1-ol

3-(5-methylhexan-2-ylamino)cyclohexan-1-ol (PubChem CID 43751238) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 3-(5-methylhexan-2-ylamino)cyclohexan-1-ol.

Molecular Properties

Compound Name3-(5-methylhexan-2-ylamino)cyclohexan-1-ol
PubChem CID43751238
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name3-(5-methylhexan-2-ylamino)cyclohexan-1-ol
SMILESCC(C)CCC(C)NC1CCCC(O)C1
InChIInChI=1S/C13H27NO/c1-10(2)7-8-11(3)14-12-5-4-6-13(15)9-12/h10-15H,4-9H2,1-3H3
InChIKeySEGKTLWQCCKKHN-UHFFFAOYSA-N
XLogP2.70
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(1-cyclopropyl-4-methylpentyl)amino]cyclohexan-1-ol
CID 114274449
3-methyl-N-(5-methylhexan-2-yl)cyclohexan-1-amine
CID 43079319
3-cyclopropyl-N-(5-methylhexan-2-yl)cyclohexan-1-amine
CID 64593482
3-(1-cyclobutylpropan-2-ylamino)cyclohexan-1-ol
CID 115712155
3-(propan-2-ylamino)cycloheptan-1-ol
CID 160609920
1-N,4-N-bis(5-methylhexan-2-yl)cyclohexane-1,4-diamine
CID 90346860
cis-(1R,3S)-3-(propan-2-ylamino)cyclopentan-1-ol
CID 130990833
[4-(5-methylhexan-2-ylamino)cyclohexyl]methanol
CID 103788564
3-[1-(3-fluorophenyl)propan-2-ylamino]cyclohexan-1-ol
CID 113260471
N-pentan-2-yl-3-propan-2-ylcyclohexan-1-amine
CID 107447751
3-(methylamino)cyclohexan-1-ol;hydrochloride
CID 138108510
(3R)-3-(cyclopentylamino)butan-1-ol
CID 103854696

Frequently Asked Questions

What is the IUPAC name of 3-(5-methylhexan-2-ylamino)cyclohexan-1-ol?
The IUPAC name of 3-(5-methylhexan-2-ylamino)cyclohexan-1-ol (CID 43751238) is 3-(5-methylhexan-2-ylamino)cyclohexan-1-ol.
What is the SMILES notation for 3-(5-methylhexan-2-ylamino)cyclohexan-1-ol?
The canonical SMILES for 3-(5-methylhexan-2-ylamino)cyclohexan-1-ol is CC(C)CCC(C)NC1CCCC(O)C1.
What is the InChIKey of 3-(5-methylhexan-2-ylamino)cyclohexan-1-ol?
The InChIKey is SEGKTLWQCCKKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-10(2)7-8-11(3)14-12-5-4-6-13(15)9-12/h10-15H,4-9H2,1-3H3.
What are the key properties of 3-(5-methylhexan-2-ylamino)cyclohexan-1-ol?
3-(5-methylhexan-2-ylamino)cyclohexan-1-ol has a molecular weight of 213.36 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylhexan-2-ylamino)cyclohexan-1-ol is sourced from PubChem (CID 43751238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).