5-amino-2,4-dimethyl-N-[3-[methyl(propan-2-yl)amino]propyl]cyclohexane-1-carboxamide

C16H33N3O — CID 106052842

IUPAC5-amino-2,4-dimethyl-N-[3-[methyl(propan-2-yl)amino]propyl]cyclohexane-1-carboxamide
SMILESCC1CC(C)C(C(=O)NCCCN(C)C(C)C)CC1N
InChIInChI=1S/C16H33N3O/c1-11(2)19(5)8-6-7-18-16(20)14-10-15(17)13(4)9-12(14)3/h11-15H,6-10,17H2,1-5H3,(H,18,20)
InChIKeyVGPIFXXRYGABFM-UHFFFAOYSA-N
MW283.46 g/mol
LogP1.84
Rot. Bonds6

About 5-amino-2,4-dimethyl-N-[3-[methyl(propan-2-yl)amino]propyl]cyclohexane-1-carboxamide

5-amino-2,4-dimethyl-N-[3-[methyl(propan-2-yl)amino]propyl]cyclohexane-1-carboxamide (PubChem CID 106052842) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is 5-amino-2,4-dimethyl-N-[3-[methyl(propan-2-yl)amino]propyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name5-amino-2,4-dimethyl-N-[3-[methyl(propan-2-yl)amino]propyl]cyclohexane-1-carboxamide
PubChem CID106052842
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC Name5-amino-2,4-dimethyl-N-[3-[methyl(propan-2-yl)amino]propyl]cyclohexane-1-carboxamide
SMILESCC1CC(C)C(C(=O)NCCCN(C)C(C)C)CC1N
InChIInChI=1S/C16H33N3O/c1-11(2)19(5)8-6-7-18-16(20)14-10-15(17)13(4)9-12(14)3/h11-15H,6-10,17H2,1-5H3,(H,18,20)
InChIKeyVGPIFXXRYGABFM-UHFFFAOYSA-N
XLogP1.84
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 51.84
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

5-amino-N-[2-(dimethylamino)ethyl]-2,4-dimethylcyclohexane-1-carboxamide
CID 102706457
5-amino-N-(2,3-dimethylbutyl)-2,4-dimethylcyclohexane-1-carboxamide
CID 102706782
2-(aminomethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]cyclohexane-1-carboxamide
CID 106047668
5-amino-N-(3-methoxy-2-methylpropyl)-2,4-dimethylcyclohexane-1-carboxamide
CID 102706675
5-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-2,4-dimethylcyclohexane-1-carboxamide
CID 106241357
2-amino-N-[4-(dimethylamino)butyl]cyclopropane-1-carboxamide
CID 114995087
3-amino-2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]cyclohexane-1-carboxamide
CID 55116859
5-amino-N-[3-(dimethylamino)propyl]-2-methylcyclohexane-1-carboxamide
CID 62781307
5-amino-N-(2-cyclohexyloxyethyl)-2,4-dimethylcyclohexane-1-carboxamide
CID 102706761
(2S)-2-amino-N-[3-[methyl(propan-2-yl)amino]propyl]propanamide
CID 106047587
4-amino-N-[4-(dimethylamino)butyl]-2-methylcyclohexane-1-carboxamide
CID 62782762
6-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]piperidine-2-carboxamide
CID 114140614

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,4-dimethyl-N-[3-[methyl(propan-2-yl)amino]propyl]cyclohexane-1-carboxamide?
The IUPAC name of 5-amino-2,4-dimethyl-N-[3-[methyl(propan-2-yl)amino]propyl]cyclohexane-1-carboxamide (CID 106052842) is 5-amino-2,4-dimethyl-N-[3-[methyl(propan-2-yl)amino]propyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 5-amino-2,4-dimethyl-N-[3-[methyl(propan-2-yl)amino]propyl]cyclohexane-1-carboxamide?
The canonical SMILES for 5-amino-2,4-dimethyl-N-[3-[methyl(propan-2-yl)amino]propyl]cyclohexane-1-carboxamide is CC1CC(C)C(C(=O)NCCCN(C)C(C)C)CC1N.
What is the InChIKey of 5-amino-2,4-dimethyl-N-[3-[methyl(propan-2-yl)amino]propyl]cyclohexane-1-carboxamide?
The InChIKey is VGPIFXXRYGABFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O/c1-11(2)19(5)8-6-7-18-16(20)14-10-15(17)13(4)9-12(14)3/h11-15H,6-10,17H2,1-5H3,(H,18,20).
What are the key properties of 5-amino-2,4-dimethyl-N-[3-[methyl(propan-2-yl)amino]propyl]cyclohexane-1-carboxamide?
5-amino-2,4-dimethyl-N-[3-[methyl(propan-2-yl)amino]propyl]cyclohexane-1-carboxamide has a molecular weight of 283.46 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,4-dimethyl-N-[3-[methyl(propan-2-yl)amino]propyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 106052842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).