(2R)-1-N-(1,2-dimethylcyclohexyl)propane-1,2-diamine

C11H24N2 — CID 130698780

IUPAC(2R)-1-N-(1,2-dimethylcyclohexyl)propane-1,2-diamine
SMILESCC1CCCCC1(C)NC[C@@H](C)N
InChIInChI=1S/C11H24N2/c1-9-6-4-5-7-11(9,3)13-8-10(2)12/h9-10,13H,4-8,12H2,1-3H3/t9?,10-,11?/m1/s1
InChIKeyWQGILZQNYRUXBD-HSOILSAZSA-N
MW184.33 g/mol
LogP1.89
Rot. Bonds3

About (2R)-1-N-(1,2-dimethylcyclohexyl)propane-1,2-diamine

(2R)-1-N-(1,2-dimethylcyclohexyl)propane-1,2-diamine (PubChem CID 130698780) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is (2R)-1-N-(1,2-dimethylcyclohexyl)propane-1,2-diamine.

Molecular Properties

Compound Name(2R)-1-N-(1,2-dimethylcyclohexyl)propane-1,2-diamine
PubChem CID130698780
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC Name(2R)-1-N-(1,2-dimethylcyclohexyl)propane-1,2-diamine
SMILESCC1CCCCC1(C)NC[C@@H](C)N
InChIInChI=1S/C11H24N2/c1-9-6-4-5-7-11(9,3)13-8-10(2)12/h9-10,13H,4-8,12H2,1-3H3/t9?,10-,11?/m1/s1
InChIKeyWQGILZQNYRUXBD-HSOILSAZSA-N
XLogP1.89
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(1,2-dimethylcyclohexyl)amino]-2-methylpropane-1-sulfonic acid
CID 139410617
(2S)-1-N-spiro[3.4]octan-3-ylpropane-1,2-diamine
CID 164658810
1-N-(2,2-difluorocyclohexyl)propane-1,2-diamine
CID 131014891
1-N-[(1-methylcyclopentyl)methyl]propane-1,2-diamine
CID 63831246
1-N-(cyclopentylmethyl)propane-1,2-diamine
CID 115196604
1-(aminomethyl)-2-methyl-N-prop-2-ynylcyclohexan-1-amine
CID 65382192
(2R)-2-[(1S,2R)-1,2-dimethylcyclononyl]propane-1-thiol
CID 174108762
1,1,2-trimethylcycloundecane
CID 544748
1,2-dimethylspiro[bicyclo[4.1.0]heptane-7,1'-cyclopropane]
CID 163587019
4-amino-N-(2,2-dimethylcyclohexyl)pentanamide;hydrochloride
CID 120562889
N-[1-(aminomethyl)-2-methylcyclohexyl]-2,3-dimethylbutanamide
CID 113283692
trans-methyl (1S,2S)-2-methyl-2-[[(2S)-2-methylpentyl]amino]cyclohexane-1-carboxylate
CID 97261633

Frequently Asked Questions

What is the IUPAC name of (2R)-1-N-(1,2-dimethylcyclohexyl)propane-1,2-diamine?
The IUPAC name of (2R)-1-N-(1,2-dimethylcyclohexyl)propane-1,2-diamine (CID 130698780) is (2R)-1-N-(1,2-dimethylcyclohexyl)propane-1,2-diamine.
What is the SMILES notation for (2R)-1-N-(1,2-dimethylcyclohexyl)propane-1,2-diamine?
The canonical SMILES for (2R)-1-N-(1,2-dimethylcyclohexyl)propane-1,2-diamine is CC1CCCCC1(C)NC[C@@H](C)N.
What is the InChIKey of (2R)-1-N-(1,2-dimethylcyclohexyl)propane-1,2-diamine?
The InChIKey is WQGILZQNYRUXBD-HSOILSAZSA-N. The full InChI is InChI=1S/C11H24N2/c1-9-6-4-5-7-11(9,3)13-8-10(2)12/h9-10,13H,4-8,12H2,1-3H3/t9?,10-,11?/m1/s1.
What are the key properties of (2R)-1-N-(1,2-dimethylcyclohexyl)propane-1,2-diamine?
(2R)-1-N-(1,2-dimethylcyclohexyl)propane-1,2-diamine has a molecular weight of 184.33 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-N-(1,2-dimethylcyclohexyl)propane-1,2-diamine is sourced from PubChem (CID 130698780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).