(2R)-3-cyclohexyl-1-N,1-N,2-N-trimethylpropane-1,2-diamine

C12H26N2 — CID 58597797

IUPAC(2R)-3-cyclohexyl-1-N,1-N,2-N-trimethylpropane-1,2-diamine
SMILESCN[C@H](CC1CCCCC1)CN(C)C
InChIInChI=1S/C12H26N2/c1-13-12(10-14(2)3)9-11-7-5-4-6-8-11/h11-13H,4-10H2,1-3H3/t12-/m1/s1
InChIKeySYCXVJIJPQFJHL-GFCCVEGCSA-N
MW198.35 g/mol
LogP2.11
Rot. Bonds5

About (2R)-3-cyclohexyl-1-N,1-N,2-N-trimethylpropane-1,2-diamine

(2R)-3-cyclohexyl-1-N,1-N,2-N-trimethylpropane-1,2-diamine (PubChem CID 58597797) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is (2R)-3-cyclohexyl-1-N,1-N,2-N-trimethylpropane-1,2-diamine.

Molecular Properties

Compound Name(2R)-3-cyclohexyl-1-N,1-N,2-N-trimethylpropane-1,2-diamine
PubChem CID58597797
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name(2R)-3-cyclohexyl-1-N,1-N,2-N-trimethylpropane-1,2-diamine
SMILESCN[C@H](CC1CCCCC1)CN(C)C
InChIInChI=1S/C12H26N2/c1-13-12(10-14(2)3)9-11-7-5-4-6-8-11/h11-13H,4-10H2,1-3H3/t12-/m1/s1
InChIKeySYCXVJIJPQFJHL-GFCCVEGCSA-N
XLogP2.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclohexyl-2-hydrazinyl-N,N-dimethylpropan-1-amine
CID 105244700
1-cyclohexyl-N-methylbutan-2-amine
CID 62601734
1-cyclopentyl-4,4,4-trifluoro-N-methylbutan-2-amine
CID 62603326
1-cycloheptyl-N-methylhexan-2-amine
CID 115832695
1-cyclopentyl-N-methyl-3-(thian-4-yl)propan-2-amine
CID 105138955
1-cyclohexyl-N-methylheptan-2-amine
CID 115836969
1-cyclohexyl-N-methyl-3-(oxolan-3-yl)propan-2-amine
CID 103987113
2-cyclohexyl-1-cyclopropyl-N-methylethanamine
CID 62600401
2-cyclopentyl-2-hydrazinyl-N,N-dimethylethanamine
CID 105244656
1-cycloheptyl-N,6,6-trimethylheptan-2-amine
CID 114211051
1-N-(cyclopentylmethyl)-1-N,2-N-dimethylpentane-1,2-diamine
CID 63631754
1,3-dicyclohexylpropan-2-ylhydrazine
CID 105296165

Frequently Asked Questions

What is the IUPAC name of (2R)-3-cyclohexyl-1-N,1-N,2-N-trimethylpropane-1,2-diamine?
The IUPAC name of (2R)-3-cyclohexyl-1-N,1-N,2-N-trimethylpropane-1,2-diamine (CID 58597797) is (2R)-3-cyclohexyl-1-N,1-N,2-N-trimethylpropane-1,2-diamine.
What is the SMILES notation for (2R)-3-cyclohexyl-1-N,1-N,2-N-trimethylpropane-1,2-diamine?
The canonical SMILES for (2R)-3-cyclohexyl-1-N,1-N,2-N-trimethylpropane-1,2-diamine is CN[C@H](CC1CCCCC1)CN(C)C.
What is the InChIKey of (2R)-3-cyclohexyl-1-N,1-N,2-N-trimethylpropane-1,2-diamine?
The InChIKey is SYCXVJIJPQFJHL-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H26N2/c1-13-12(10-14(2)3)9-11-7-5-4-6-8-11/h11-13H,4-10H2,1-3H3/t12-/m1/s1.
What are the key properties of (2R)-3-cyclohexyl-1-N,1-N,2-N-trimethylpropane-1,2-diamine?
(2R)-3-cyclohexyl-1-N,1-N,2-N-trimethylpropane-1,2-diamine has a molecular weight of 198.35 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-cyclohexyl-1-N,1-N,2-N-trimethylpropane-1,2-diamine is sourced from PubChem (CID 58597797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).