(3S,4S)-4-amino-1,1,5-tricyclohexylpentan-3-ol

C23H43NO — CID 57278444

IUPAC(3S,4S)-4-amino-1,1,5-tricyclohexylpentan-3-ol
SMILESN[C@@H](CC1CCCCC1)[C@@H](O)CC(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C23H43NO/c24-22(16-18-10-4-1-5-11-18)23(25)17-21(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h18-23,25H,1-17,24H2/t22-,23-/m0/s1
InChIKeyTVHCWXRLGKLCOQ-GOTSBHOMSA-N
MW349.60 g/mol
LogP5.81
Rot. Bonds7

About (3S,4S)-4-amino-1,1,5-tricyclohexylpentan-3-ol

(3S,4S)-4-amino-1,1,5-tricyclohexylpentan-3-ol (PubChem CID 57278444) has the molecular formula C23H43NO and a molecular weight of 349.60 g/mol. Its IUPAC name is (3S,4S)-4-amino-1,1,5-tricyclohexylpentan-3-ol.

Molecular Properties

Compound Name(3S,4S)-4-amino-1,1,5-tricyclohexylpentan-3-ol
PubChem CID57278444
Molecular FormulaC23H43NO
Molecular Weight349.60 g/mol
Exact Mass349.33
IUPAC Name(3S,4S)-4-amino-1,1,5-tricyclohexylpentan-3-ol
SMILESN[C@@H](CC1CCCCC1)[C@@H](O)CC(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C23H43NO/c24-22(16-18-10-4-1-5-11-18)23(25)17-21(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h18-23,25H,1-17,24H2/t22-,23-/m0/s1
InChIKeyTVHCWXRLGKLCOQ-GOTSBHOMSA-N
XLogP5.81
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.60
LogP ≤ 55.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3S,5R)-2-amino-1-cyclohexyl-6-methylheptane-3,5-diol
CID 10681709
(2S,4R)-2,4-diamino-1,5-dicyclohexylpentan-3-ol
CID 10636664
(2S,3S,5R)-2-amino-1-cyclohexyl-5-ethylhept-6-en-3-ol
CID 70041382
(3S)-2-amino-1-cyclohexyl-5-(cyclohexylamino)pentan-3-ol
CID 58964082
(3R,4S)-4-amino-5-cyclohexylpentane-1,2,3-triol
CID 57086179
(2R,3S,4S)-2-amino-1-cyclohexyl-6-methylheptane-3,4-diol
CID 102069608
(2R)-1-cyclohexyl-3-methylbutan-2-amine
CID 118964474
(4R,5S)-5-amino-6-cyclohexylhexane-1,2,3,4-tetrol
CID 54442310
(2S,3R,4S)-2-amino-1-cyclohexyl-6-methylheptane-3,4-diol;dihydrochloride
CID 18643833
(2S,3R,4S)-2-amino-1-cyclohexyl-6-methylheptane-3,4-diol;hydrochloride
CID 18643834
1,2-dicyclohexylethylcyclohexane
CID 158413043
3-amino-4-cyclohexyl-1-cyclohexylsulfonylbutan-2-ol;hydrochloride
CID 18966333

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-amino-1,1,5-tricyclohexylpentan-3-ol?
The IUPAC name of (3S,4S)-4-amino-1,1,5-tricyclohexylpentan-3-ol (CID 57278444) is (3S,4S)-4-amino-1,1,5-tricyclohexylpentan-3-ol.
What is the SMILES notation for (3S,4S)-4-amino-1,1,5-tricyclohexylpentan-3-ol?
The canonical SMILES for (3S,4S)-4-amino-1,1,5-tricyclohexylpentan-3-ol is N[C@@H](CC1CCCCC1)[C@@H](O)CC(C1CCCCC1)C1CCCCC1.
What is the InChIKey of (3S,4S)-4-amino-1,1,5-tricyclohexylpentan-3-ol?
The InChIKey is TVHCWXRLGKLCOQ-GOTSBHOMSA-N. The full InChI is InChI=1S/C23H43NO/c24-22(16-18-10-4-1-5-11-18)23(25)17-21(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h18-23,25H,1-17,24H2/t22-,23-/m0/s1.
What are the key properties of (3S,4S)-4-amino-1,1,5-tricyclohexylpentan-3-ol?
(3S,4S)-4-amino-1,1,5-tricyclohexylpentan-3-ol has a molecular weight of 349.60 g/mol, XLogP of 5.81, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-amino-1,1,5-tricyclohexylpentan-3-ol is sourced from PubChem (CID 57278444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).