1-[(1R,2R)-2-[(dimethylamino)methyl]cyclohexyl]-N,N-dimethylmethanamine

C12H26N2 — CID 22812116

IUPAC1-[(1R,2R)-2-[(dimethylamino)methyl]cyclohexyl]-N,N-dimethylmethanamine
SMILESCN(C)C[C@@H]1CCCC[C@H]1CN(C)C
InChIInChI=1S/C12H26N2/c1-13(2)9-11-7-5-6-8-12(11)10-14(3)4/h11-12H,5-10H2,1-4H3/t11-,12-/m0/s1
InChIKeyAPXJTKLFMVURPU-RYUDHWBXSA-N
MW198.35 g/mol
LogP1.92
Rot. Bonds4

About 1-[(1R,2R)-2-[(dimethylamino)methyl]cyclohexyl]-N,N-dimethylmethanamine

1-[(1R,2R)-2-[(dimethylamino)methyl]cyclohexyl]-N,N-dimethylmethanamine (PubChem CID 22812116) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 1-[(1R,2R)-2-[(dimethylamino)methyl]cyclohexyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[(1R,2R)-2-[(dimethylamino)methyl]cyclohexyl]-N,N-dimethylmethanamine
PubChem CID22812116
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name1-[(1R,2R)-2-[(dimethylamino)methyl]cyclohexyl]-N,N-dimethylmethanamine
SMILESCN(C)C[C@@H]1CCCC[C@H]1CN(C)C
InChIInChI=1S/C12H26N2/c1-13(2)9-11-7-5-6-8-12(11)10-14(3)4/h11-12H,5-10H2,1-4H3/t11-,12-/m0/s1
InChIKeyAPXJTKLFMVURPU-RYUDHWBXSA-N
XLogP1.92
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-dimethylindiganylcyclohexyl)-N,N-dimethylmethanamine
CID 88506242
N,N-dimethyl-1-[(1S,2R)-2-methylcyclopentyl]methanamine
CID 167145219
[(1S,2R)-2-[(dimethylamino)methyl]cyclopentyl]methanamine
CID 84716624
trans-(1S,2R)-2-[(dimethylamino)methyl]cyclohexane-1-carboxylic acid
CID 145395448
1-cycloheptyl-N,N-dimethylmethanamine
CID 58845214
methyl 2-[(dimethylamino)methyl]cyclohexane-1-carboxylate
CID 145395402
1-cyclobutyl-N,N-dimethylmethanamine
CID 4285302
1-[(1S,6R)-6-[(dimethylamino)methyl]cyclohex-3-en-1-yl]-N,N-dimethylmethanamine
CID 12505970
N,N-dimethyl-1-[(1R,2R)-2-methylcyclopropyl]methanamine
CID 129256150
N,N-dimethyl-1-[(2S)-2-methylcyclopropyl]methanamine
CID 153082605
1-[2-(dimethoxymethyl)cyclopentyl]-N,N-dimethylmethanamine
CID 123882722
carbanide;cobalt(2+);heptakis(cyclopentane);1-cyclopentyl-N,N-dimethylmethanamine;bis(iron(2+));nickel(2+)
CID 162293129

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R)-2-[(dimethylamino)methyl]cyclohexyl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[(1R,2R)-2-[(dimethylamino)methyl]cyclohexyl]-N,N-dimethylmethanamine (CID 22812116) is 1-[(1R,2R)-2-[(dimethylamino)methyl]cyclohexyl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[(1R,2R)-2-[(dimethylamino)methyl]cyclohexyl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[(1R,2R)-2-[(dimethylamino)methyl]cyclohexyl]-N,N-dimethylmethanamine is CN(C)C[C@@H]1CCCC[C@H]1CN(C)C.
What is the InChIKey of 1-[(1R,2R)-2-[(dimethylamino)methyl]cyclohexyl]-N,N-dimethylmethanamine?
The InChIKey is APXJTKLFMVURPU-RYUDHWBXSA-N. The full InChI is InChI=1S/C12H26N2/c1-13(2)9-11-7-5-6-8-12(11)10-14(3)4/h11-12H,5-10H2,1-4H3/t11-,12-/m0/s1.
What are the key properties of 1-[(1R,2R)-2-[(dimethylamino)methyl]cyclohexyl]-N,N-dimethylmethanamine?
1-[(1R,2R)-2-[(dimethylamino)methyl]cyclohexyl]-N,N-dimethylmethanamine has a molecular weight of 198.35 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2R)-2-[(dimethylamino)methyl]cyclohexyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 22812116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).