trans-(1R,2R)-N-[3-(dimethylamino)propyl]-2-(methylamino)cyclohexane-1-carboxamide

C13H27N3O — CID 58751710

IUPACtrans-(1R,2R)-N-[3-(dimethylamino)propyl]-2-(methylamino)cyclohexane-1-carboxamide
SMILESCN[C@@H]1CCCC[C@H]1C(=O)NCCCN(C)C
InChIInChI=1S/C13H27N3O/c1-14-12-8-5-4-7-11(12)13(17)15-9-6-10-16(2)3/h11-12,14H,4-10H2,1-3H3,(H,15,17)/t11-,12-/m1/s1
InChIKeyWLSDAKYQFYOROB-VXGBXAGGSA-N
MW241.38 g/mol
LogP0.83
Rot. Bonds6

About trans-(1R,2R)-N-[3-(dimethylamino)propyl]-2-(methylamino)cyclohexane-1-carboxamide

trans-(1R,2R)-N-[3-(dimethylamino)propyl]-2-(methylamino)cyclohexane-1-carboxamide (PubChem CID 58751710) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is trans-(1R,2R)-N-[3-(dimethylamino)propyl]-2-(methylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-[3-(dimethylamino)propyl]-2-(methylamino)cyclohexane-1-carboxamide
PubChem CID58751710
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Nametrans-(1R,2R)-N-[3-(dimethylamino)propyl]-2-(methylamino)cyclohexane-1-carboxamide
SMILESCN[C@@H]1CCCC[C@H]1C(=O)NCCCN(C)C
InChIInChI=1S/C13H27N3O/c1-14-12-8-5-4-7-11(12)13(17)15-9-6-10-16(2)3/h11-12,14H,4-10H2,1-3H3,(H,15,17)/t11-,12-/m1/s1
InChIKeyWLSDAKYQFYOROB-VXGBXAGGSA-N
XLogP0.83
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[3-(dimethylamino)propyl]cyclohexane-1-carboxamide
CID 62775948
4-N-[2-(dimethylamino)ethyl]-1-N-[3-(dimethylamino)propyl]cyclohexane-1,4-dicarboxamide
CID 109147025
2-amino-N-[4-(dimethylamino)butyl]cyclopropane-1-carboxamide
CID 114995087
2-N-[3-(dimethylamino)propyl]-1-N-(3-methoxypropyl)cyclopropane-1,2-dicarboxamide
CID 109133090
cis-(1R,2S)-2-acetyl-N-[3-[butyl(methyl)amino]propyl]cyclohexane-1-carboxamide
CID 144603348
5-amino-N-[3-(dimethylamino)propyl]-2-methylcyclohexane-1-carboxamide
CID 62781307
N,N-dimethyl-2-(methylamino)cyclohexane-1-carboxamide
CID 163270148
2-(aminomethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]cyclohexane-1-carboxamide
CID 106047668
cis-(1S,2R)-2-(methylamino)cyclohexane-1-carboxylic acid
CID 66806131
2-[3-(methylamino)propylcarbamoyl]cyclohexane-1-carboxylic acid
CID 61403958
4-amino-N-[4-(dimethylamino)butyl]-2-methylcyclohexane-1-carboxamide
CID 62782762
N-[2-(dimethylamino)ethyl]-2-(3,3-dimethyl-2-oxobutyl)cyclohexane-1-carboxamide
CID 123651432

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-[3-(dimethylamino)propyl]-2-(methylamino)cyclohexane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-[3-(dimethylamino)propyl]-2-(methylamino)cyclohexane-1-carboxamide (CID 58751710) is trans-(1R,2R)-N-[3-(dimethylamino)propyl]-2-(methylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-[3-(dimethylamino)propyl]-2-(methylamino)cyclohexane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-[3-(dimethylamino)propyl]-2-(methylamino)cyclohexane-1-carboxamide is CN[C@@H]1CCCC[C@H]1C(=O)NCCCN(C)C.
What is the InChIKey of trans-(1R,2R)-N-[3-(dimethylamino)propyl]-2-(methylamino)cyclohexane-1-carboxamide?
The InChIKey is WLSDAKYQFYOROB-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H27N3O/c1-14-12-8-5-4-7-11(12)13(17)15-9-6-10-16(2)3/h11-12,14H,4-10H2,1-3H3,(H,15,17)/t11-,12-/m1/s1.
What are the key properties of trans-(1R,2R)-N-[3-(dimethylamino)propyl]-2-(methylamino)cyclohexane-1-carboxamide?
trans-(1R,2R)-N-[3-(dimethylamino)propyl]-2-(methylamino)cyclohexane-1-carboxamide has a molecular weight of 241.38 g/mol, XLogP of 0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-[3-(dimethylamino)propyl]-2-(methylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 58751710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).