1,3-diamino-1,3-dicyclohexylpropan-2-ol

C15H30N2O — CID 140971393

IUPAC1,3-diamino-1,3-dicyclohexylpropan-2-ol
SMILESNC(C1CCCCC1)C(O)C(N)C1CCCCC1
InChIInChI=1S/C15H30N2O/c16-13(11-7-3-1-4-8-11)15(18)14(17)12-9-5-2-6-10-12/h11-15,18H,1-10,16-17H2
InChIKeyAOPKKVGHVDDJBO-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.16
Rot. Bonds4

About 1,3-diamino-1,3-dicyclohexylpropan-2-ol

1,3-diamino-1,3-dicyclohexylpropan-2-ol (PubChem CID 140971393) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 1,3-diamino-1,3-dicyclohexylpropan-2-ol.

Molecular Properties

Compound Name1,3-diamino-1,3-dicyclohexylpropan-2-ol
PubChem CID140971393
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name1,3-diamino-1,3-dicyclohexylpropan-2-ol
SMILESNC(C1CCCCC1)C(O)C(N)C1CCCCC1
InChIInChI=1S/C15H30N2O/c16-13(11-7-3-1-4-8-11)15(18)14(17)12-9-5-2-6-10-12/h11-15,18H,1-10,16-17H2
InChIKeyAOPKKVGHVDDJBO-UHFFFAOYSA-N
XLogP2.16
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexylpropane-1,2-diamine
CID 20574714
1-cyclohexyl-2-cyclopentylethane-1,2-diol
CID 103459295
1-amino-1-cyclobutylpropan-2-ol
CID 55295141
(1R,2S)-1-amino-1-cyclobutylpropan-2-ol
CID 55295105
methyl (2R)-3-amino-3-cyclohexyl-2-hydroxypropanoate
CID 143700706
cycloheptyl(cyclohexyl)methanamine
CID 65399873
(2S)-2-amino-1-cyclohexylpropan-1-ol;hydrochloride
CID 126622776
(2R)-2-amino-2-cyclopropylethane-1,1-diol
CID 130242537
cyclooctyl(cyclopropyl)methanol
CID 80603317
(2S,4R)-2,4-diamino-1,5-dicyclohexylpentan-3-ol
CID 10636664
2-amino-1-cycloheptyl-3-methylbutan-1-ol
CID 115347541
1-cyclohexyl-3,3-dimethylbutane-1,2-diamine
CID 85238914

Frequently Asked Questions

What is the IUPAC name of 1,3-diamino-1,3-dicyclohexylpropan-2-ol?
The IUPAC name of 1,3-diamino-1,3-dicyclohexylpropan-2-ol (CID 140971393) is 1,3-diamino-1,3-dicyclohexylpropan-2-ol.
What is the SMILES notation for 1,3-diamino-1,3-dicyclohexylpropan-2-ol?
The canonical SMILES for 1,3-diamino-1,3-dicyclohexylpropan-2-ol is NC(C1CCCCC1)C(O)C(N)C1CCCCC1.
What is the InChIKey of 1,3-diamino-1,3-dicyclohexylpropan-2-ol?
The InChIKey is AOPKKVGHVDDJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c16-13(11-7-3-1-4-8-11)15(18)14(17)12-9-5-2-6-10-12/h11-15,18H,1-10,16-17H2.
What are the key properties of 1,3-diamino-1,3-dicyclohexylpropan-2-ol?
1,3-diamino-1,3-dicyclohexylpropan-2-ol has a molecular weight of 254.42 g/mol, XLogP of 2.16, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diamino-1,3-dicyclohexylpropan-2-ol is sourced from PubChem (CID 140971393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).