(3S)-2-amino-1-cyclohexyl-5-(cyclohexylamino)pentan-3-ol

C17H34N2O — CID 58964082

IUPAC(3S)-2-amino-1-cyclohexyl-5-(cyclohexylamino)pentan-3-ol
SMILESNC(CC1CCCCC1)[C@@H](O)CCNC1CCCCC1
InChIInChI=1S/C17H34N2O/c18-16(13-14-7-3-1-4-8-14)17(20)11-12-19-15-9-5-2-6-10-15/h14-17,19-20H,1-13,18H2/t16?,17-/m0/s1
InChIKeyDVJOMNHMVCMODM-DJNXLDHESA-N
MW282.47 g/mol
LogP2.96
Rot. Bonds7

About (3S)-2-amino-1-cyclohexyl-5-(cyclohexylamino)pentan-3-ol

(3S)-2-amino-1-cyclohexyl-5-(cyclohexylamino)pentan-3-ol (PubChem CID 58964082) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is (3S)-2-amino-1-cyclohexyl-5-(cyclohexylamino)pentan-3-ol.

Molecular Properties

Compound Name(3S)-2-amino-1-cyclohexyl-5-(cyclohexylamino)pentan-3-ol
PubChem CID58964082
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name(3S)-2-amino-1-cyclohexyl-5-(cyclohexylamino)pentan-3-ol
SMILESNC(CC1CCCCC1)[C@@H](O)CCNC1CCCCC1
InChIInChI=1S/C17H34N2O/c18-16(13-14-7-3-1-4-8-14)17(20)11-12-19-15-9-5-2-6-10-15/h14-17,19-20H,1-13,18H2/t16?,17-/m0/s1
InChIKeyDVJOMNHMVCMODM-DJNXLDHESA-N
XLogP2.96
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4S)-4-amino-1,1,5-tricyclohexylpentan-3-ol
CID 57278444
N-[(3S,4S)-4-amino-5-cyclohexyl-3-hydroxypentyl]-2-sulfanylpentanamide
CID 88638536
(2S,4R)-2,4-diamino-1,5-dicyclohexylpentan-3-ol
CID 10636664
(2S,3S,5R)-2-amino-1-cyclohexyl-6-methylheptane-3,5-diol
CID 10681709
N-(3,3-dicyclohexylpropyl)cyclohexanamine;hydrochloride
CID 12779948
(3R,4S)-4-amino-5-cyclohexylpentane-1,2,3-triol
CID 57086179
(2R)-1-cyclohexyl-3-methylbutan-2-amine
CID 118964474
(4R,5S)-5-amino-6-cyclohexylhexane-1,2,3,4-tetrol
CID 54442310
(2S,3S,5R)-2-amino-1-cyclohexyl-5-ethylhept-6-en-3-ol
CID 70041382
(2S,3R,4S)-2-amino-1-cyclohexyl-7-methyloctane-3,4-diol
CID 15042536
3-amino-4-cyclohexyl-1-cyclohexylsulfonylbutan-2-ol;hydrochloride
CID 18966333
(2S)-2-amino-1-cyclohexylheptane-3,4,5-triol
CID 67724480

Frequently Asked Questions

What is the IUPAC name of (3S)-2-amino-1-cyclohexyl-5-(cyclohexylamino)pentan-3-ol?
The IUPAC name of (3S)-2-amino-1-cyclohexyl-5-(cyclohexylamino)pentan-3-ol (CID 58964082) is (3S)-2-amino-1-cyclohexyl-5-(cyclohexylamino)pentan-3-ol.
What is the SMILES notation for (3S)-2-amino-1-cyclohexyl-5-(cyclohexylamino)pentan-3-ol?
The canonical SMILES for (3S)-2-amino-1-cyclohexyl-5-(cyclohexylamino)pentan-3-ol is NC(CC1CCCCC1)[C@@H](O)CCNC1CCCCC1.
What is the InChIKey of (3S)-2-amino-1-cyclohexyl-5-(cyclohexylamino)pentan-3-ol?
The InChIKey is DVJOMNHMVCMODM-DJNXLDHESA-N. The full InChI is InChI=1S/C17H34N2O/c18-16(13-14-7-3-1-4-8-14)17(20)11-12-19-15-9-5-2-6-10-15/h14-17,19-20H,1-13,18H2/t16?,17-/m0/s1.
What are the key properties of (3S)-2-amino-1-cyclohexyl-5-(cyclohexylamino)pentan-3-ol?
(3S)-2-amino-1-cyclohexyl-5-(cyclohexylamino)pentan-3-ol has a molecular weight of 282.47 g/mol, XLogP of 2.96, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2-amino-1-cyclohexyl-5-(cyclohexylamino)pentan-3-ol is sourced from PubChem (CID 58964082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).