2,3-diamino-1-cyclohexylpropan-1-ol;dihydrochloride

C9H22Cl2N2O — CID 24837070

IUPAC2,3-diamino-1-cyclohexylpropan-1-ol;dihydrochloride
SMILESCl.Cl.NCC(N)C(O)C1CCCCC1
InChIInChI=1S/C9H20N2O.2ClH/c10-6-8(11)9(12)7-4-2-1-3-5-7;;/h7-9,12H,1-6,10-11H2;2*1H
InChIKeyBHUAXNZGPDYQLQ-UHFFFAOYSA-N
MW245.19 g/mol
LogP1.06
Rot. Bonds3

About 2,3-diamino-1-cyclohexylpropan-1-ol;dihydrochloride

2,3-diamino-1-cyclohexylpropan-1-ol;dihydrochloride (PubChem CID 24837070) has the molecular formula C9H22Cl2N2O and a molecular weight of 245.19 g/mol. Its IUPAC name is 2,3-diamino-1-cyclohexylpropan-1-ol;dihydrochloride.

Molecular Properties

Compound Name2,3-diamino-1-cyclohexylpropan-1-ol;dihydrochloride
PubChem CID24837070
Molecular FormulaC9H22Cl2N2O
Molecular Weight245.19 g/mol
Exact Mass244.11
IUPAC Name2,3-diamino-1-cyclohexylpropan-1-ol;dihydrochloride
SMILESCl.Cl.NCC(N)C(O)C1CCCCC1
InChIInChI=1S/C9H20N2O.2ClH/c10-6-8(11)9(12)7-4-2-1-3-5-7;;/h7-9,12H,1-6,10-11H2;2*1H
InChIKeyBHUAXNZGPDYQLQ-UHFFFAOYSA-N
XLogP1.06
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.19
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-1-cyclohexylpropan-1-ol;hydrochloride
CID 126622776
1-cyclohexyl-2-cyclopentylethane-1,2-diol
CID 103459295
2-amino-1-cycloheptyl-3-methylbutan-1-ol
CID 115347541
(1S)-1-cyclopentylethane-1,2-diamine
CID 55292792
2-cyclohexylpropan-1-amine;hydrochloride
CID 24837056
1,3-diamino-1,3-dicyclohexylpropan-2-ol
CID 140971393
1-cyclohexyl-2,2-difluoroethanol;hydrochloride
CID 162337180
(2S,4R)-2,4-diamino-1,5-dicyclohexylpentan-3-ol
CID 10636664
(2S)-2-cycloheptylpropan-1-amine
CID 96634967
4-amino-1,4-dicyclohexylbutan-2-ol;hydrochloride
CID 174274064
cycloheptyl(cyclohexyl)methanamine
CID 65399873
(2R,4R)-4-amino-4-cyclohexylbutan-2-ol
CID 131096382

Frequently Asked Questions

What is the IUPAC name of 2,3-diamino-1-cyclohexylpropan-1-ol;dihydrochloride?
The IUPAC name of 2,3-diamino-1-cyclohexylpropan-1-ol;dihydrochloride (CID 24837070) is 2,3-diamino-1-cyclohexylpropan-1-ol;dihydrochloride.
What is the SMILES notation for 2,3-diamino-1-cyclohexylpropan-1-ol;dihydrochloride?
The canonical SMILES for 2,3-diamino-1-cyclohexylpropan-1-ol;dihydrochloride is Cl.Cl.NCC(N)C(O)C1CCCCC1.
What is the InChIKey of 2,3-diamino-1-cyclohexylpropan-1-ol;dihydrochloride?
The InChIKey is BHUAXNZGPDYQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O.2ClH/c10-6-8(11)9(12)7-4-2-1-3-5-7;;/h7-9,12H,1-6,10-11H2;2*1H.
What are the key properties of 2,3-diamino-1-cyclohexylpropan-1-ol;dihydrochloride?
2,3-diamino-1-cyclohexylpropan-1-ol;dihydrochloride has a molecular weight of 245.19 g/mol, XLogP of 1.06, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diamino-1-cyclohexylpropan-1-ol;dihydrochloride is sourced from PubChem (CID 24837070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).