4-amino-1,4-dicyclohexylbutan-2-ol;hydrochloride

C16H32ClNO — CID 174274064

IUPAC4-amino-1,4-dicyclohexylbutan-2-ol;hydrochloride
SMILESCl.NC(CC(O)CC1CCCCC1)C1CCCCC1
InChIInChI=1S/C16H31NO.ClH/c17-16(14-9-5-2-6-10-14)12-15(18)11-13-7-3-1-4-8-13;/h13-16,18H,1-12,17H2;1H
InChIKeyZUCHFSVOSVURKI-UHFFFAOYSA-N
MW289.89 g/mol
LogP4.04
Rot. Bonds5

About 4-amino-1,4-dicyclohexylbutan-2-ol;hydrochloride

4-amino-1,4-dicyclohexylbutan-2-ol;hydrochloride (PubChem CID 174274064) has the molecular formula C16H32ClNO and a molecular weight of 289.89 g/mol. Its IUPAC name is 4-amino-1,4-dicyclohexylbutan-2-ol;hydrochloride.

Molecular Properties

Compound Name4-amino-1,4-dicyclohexylbutan-2-ol;hydrochloride
PubChem CID174274064
Molecular FormulaC16H32ClNO
Molecular Weight289.89 g/mol
Exact Mass289.22
IUPAC Name4-amino-1,4-dicyclohexylbutan-2-ol;hydrochloride
SMILESCl.NC(CC(O)CC1CCCCC1)C1CCCCC1
InChIInChI=1S/C16H31NO.ClH/c17-16(14-9-5-2-6-10-14)12-15(18)11-13-7-3-1-4-8-13;/h13-16,18H,1-12,17H2;1H
InChIKeyZUCHFSVOSVURKI-UHFFFAOYSA-N
XLogP4.04
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.89
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1,2-dicyclohexylethanamine
CID 44574818
2-cycloheptyl-1-cyclopentylethanamine
CID 115779065
2-cyclobutyl-1-cycloheptylethanamine
CID 65457005
1-amino-1-cyclohexyl-6-methylheptan-3-ol
CID 22367824
(2R,4R)-4-amino-4-cyclohexylbutan-2-ol
CID 131096382
1-cyclohexyl-6-methylheptane-2,4-diol
CID 173250018
1,2-di(cyclobutyl)ethanamine
CID 65456758
(2R)-1-cyclohexylbutan-2-ol
CID 59949714
(2S,4R)-2,4-diamino-1,5-dicyclohexylpentan-3-ol
CID 10636664
(3S,4S)-4-amino-1,1,5-tricyclohexylpentan-3-ol
CID 57278444
1-amino-3-cyclobutylpropan-2-ol
CID 83478744
1-cyclohexyl-3-ethylpentan-1-amine
CID 82920637

Frequently Asked Questions

What is the IUPAC name of 4-amino-1,4-dicyclohexylbutan-2-ol;hydrochloride?
The IUPAC name of 4-amino-1,4-dicyclohexylbutan-2-ol;hydrochloride (CID 174274064) is 4-amino-1,4-dicyclohexylbutan-2-ol;hydrochloride.
What is the SMILES notation for 4-amino-1,4-dicyclohexylbutan-2-ol;hydrochloride?
The canonical SMILES for 4-amino-1,4-dicyclohexylbutan-2-ol;hydrochloride is Cl.NC(CC(O)CC1CCCCC1)C1CCCCC1.
What is the InChIKey of 4-amino-1,4-dicyclohexylbutan-2-ol;hydrochloride?
The InChIKey is ZUCHFSVOSVURKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO.ClH/c17-16(14-9-5-2-6-10-14)12-15(18)11-13-7-3-1-4-8-13;/h13-16,18H,1-12,17H2;1H.
What are the key properties of 4-amino-1,4-dicyclohexylbutan-2-ol;hydrochloride?
4-amino-1,4-dicyclohexylbutan-2-ol;hydrochloride has a molecular weight of 289.89 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1,4-dicyclohexylbutan-2-ol;hydrochloride is sourced from PubChem (CID 174274064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).