(2S,4R)-2,4-diamino-1,5-dicyclohexylpentan-3-ol

C17H34N2O — CID 10636664

IUPAC(2S,4R)-2,4-diamino-1,5-dicyclohexylpentan-3-ol
SMILESN[C@H](CC1CCCCC1)C(O)[C@@H](N)CC1CCCCC1
InChIInChI=1S/C17H34N2O/c18-15(11-13-7-3-1-4-8-13)17(20)16(19)12-14-9-5-2-6-10-14/h13-17,20H,1-12,18-19H2/t15-,16+,17?
InChIKeyUBLKIGIGKXWPQJ-SJPCQFCGSA-N
MW282.47 g/mol
LogP2.94
Rot. Bonds6

About (2S,4R)-2,4-diamino-1,5-dicyclohexylpentan-3-ol

(2S,4R)-2,4-diamino-1,5-dicyclohexylpentan-3-ol (PubChem CID 10636664) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is (2S,4R)-2,4-diamino-1,5-dicyclohexylpentan-3-ol.

Molecular Properties

Compound Name(2S,4R)-2,4-diamino-1,5-dicyclohexylpentan-3-ol
PubChem CID10636664
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name(2S,4R)-2,4-diamino-1,5-dicyclohexylpentan-3-ol
SMILESN[C@H](CC1CCCCC1)C(O)[C@@H](N)CC1CCCCC1
InChIInChI=1S/C17H34N2O/c18-15(11-13-7-3-1-4-8-13)17(20)16(19)12-14-9-5-2-6-10-14/h13-17,20H,1-12,18-19H2/t15-,16+,17?
InChIKeyUBLKIGIGKXWPQJ-SJPCQFCGSA-N
XLogP2.94
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S,4R)-2,4-diamino-1,5-dicyclohexylpentan-3-ol with MolForge

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Related Compounds

(3R,4S)-4-amino-5-cyclohexylpentane-1,2,3-triol
CID 57086179
(4R,5S)-5-amino-6-cyclohexylhexane-1,2,3,4-tetrol
CID 54442310
2-amino-1-cyclohexyl-6-methylheptane-3,4,5-triol
CID 22154938
(2S)-2-amino-1-cyclohexylheptane-3,4,5-triol
CID 67724480
(2R,3S,4S)-2-amino-1-cyclohexyl-6-methylheptane-3,4-diol
CID 102069608
(2R)-1-cyclohexyl-3-methylbutan-2-amine
CID 118964474
(2S,3R,4S)-2-amino-1-cyclohexyl-7-methyloctane-3,4-diol
CID 15042536
(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
(2S,3R)-4-amino-1-azido-5-cyclohexylpentane-2,3-diol
CID 58964071
(2R,3S)-3-amino-4-cyclohexyl-1,1,1-trifluorobutan-2-ol
CID 2315335
(2R,3S)-3-amino-4-cyclohexyl-2-hydroxybutanoic acid
CID 10987299

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-2,4-diamino-1,5-dicyclohexylpentan-3-ol?
The IUPAC name of (2S,4R)-2,4-diamino-1,5-dicyclohexylpentan-3-ol (CID 10636664) is (2S,4R)-2,4-diamino-1,5-dicyclohexylpentan-3-ol.
What is the SMILES notation for (2S,4R)-2,4-diamino-1,5-dicyclohexylpentan-3-ol?
The canonical SMILES for (2S,4R)-2,4-diamino-1,5-dicyclohexylpentan-3-ol is N[C@H](CC1CCCCC1)C(O)[C@@H](N)CC1CCCCC1.
What is the InChIKey of (2S,4R)-2,4-diamino-1,5-dicyclohexylpentan-3-ol?
The InChIKey is UBLKIGIGKXWPQJ-SJPCQFCGSA-N. The full InChI is InChI=1S/C17H34N2O/c18-15(11-13-7-3-1-4-8-13)17(20)16(19)12-14-9-5-2-6-10-14/h13-17,20H,1-12,18-19H2/t15-,16+,17?.
What are the key properties of (2S,4R)-2,4-diamino-1,5-dicyclohexylpentan-3-ol?
(2S,4R)-2,4-diamino-1,5-dicyclohexylpentan-3-ol has a molecular weight of 282.47 g/mol, XLogP of 2.94, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-2,4-diamino-1,5-dicyclohexylpentan-3-ol is sourced from PubChem (CID 10636664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).