5-amino-N-[4-(dimethylamino)butan-2-yl]-2-methylcyclohexane-1-carboxamide

C14H29N3O — CID 62782765

IUPAC5-amino-N-[4-(dimethylamino)butan-2-yl]-2-methylcyclohexane-1-carboxamide
SMILESCC(CCN(C)C)NC(=O)C1CC(N)CCC1C
InChIInChI=1S/C14H29N3O/c1-10-5-6-12(15)9-13(10)14(18)16-11(2)7-8-17(3)4/h10-13H,5-9,15H2,1-4H3,(H,16,18)
InChIKeyMVSWLJFKEQFLCL-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.21
Rot. Bonds5

About 5-amino-N-[4-(dimethylamino)butan-2-yl]-2-methylcyclohexane-1-carboxamide

5-amino-N-[4-(dimethylamino)butan-2-yl]-2-methylcyclohexane-1-carboxamide (PubChem CID 62782765) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 5-amino-N-[4-(dimethylamino)butan-2-yl]-2-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name5-amino-N-[4-(dimethylamino)butan-2-yl]-2-methylcyclohexane-1-carboxamide
PubChem CID62782765
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name5-amino-N-[4-(dimethylamino)butan-2-yl]-2-methylcyclohexane-1-carboxamide
SMILESCC(CCN(C)C)NC(=O)C1CC(N)CCC1C
InChIInChI=1S/C14H29N3O/c1-10-5-6-12(15)9-13(10)14(18)16-11(2)7-8-17(3)4/h10-13H,5-9,15H2,1-4H3,(H,16,18)
InChIKeyMVSWLJFKEQFLCL-UHFFFAOYSA-N
XLogP1.21
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-N-(4-methoxybutan-2-yl)-2-methylcyclohexane-1-carboxamide
CID 64603308
5-amino-N-(1-ethoxypropan-2-yl)-2-methylcyclohexane-1-carboxamide
CID 62782760
5-amino-N-[3-(dimethylamino)propyl]-2-methylcyclohexane-1-carboxamide
CID 62781307
4-amino-N-[4-(dimethylamino)butan-2-yl]-3-methylcyclohexane-1-carboxamide
CID 55115402
5-amino-2-methyl-N-(3-methylpentan-2-yl)cyclohexane-1-carboxamide
CID 62782261
2-[4-(dimethylamino)butan-2-ylcarbamoyl]-4-ethylcyclopentane-1-carboxylic acid
CID 114511694
N-[4-(dimethylamino)butan-2-yl]-4-methylpyrrolidine-3-carboxamide
CID 63714179
5-amino-N,2-dimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]cyclohexane-1-carboxamide
CID 106918224
4-amino-N-[4-(dimethylamino)butyl]-2-methylcyclohexane-1-carboxamide
CID 62782762
5-amino-N-cycloheptyl-2-methylcyclohexane-1-carboxamide
CID 62783163
4-amino-N-[2-(dimethylamino)ethyl]-N,2-dimethylcyclohexane-1-carboxamide
CID 63727080
methyl (1S,2R,5S)-5-amino-2-methylcyclohexane-1-carboxylate
CID 155905120

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[4-(dimethylamino)butan-2-yl]-2-methylcyclohexane-1-carboxamide?
The IUPAC name of 5-amino-N-[4-(dimethylamino)butan-2-yl]-2-methylcyclohexane-1-carboxamide (CID 62782765) is 5-amino-N-[4-(dimethylamino)butan-2-yl]-2-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 5-amino-N-[4-(dimethylamino)butan-2-yl]-2-methylcyclohexane-1-carboxamide?
The canonical SMILES for 5-amino-N-[4-(dimethylamino)butan-2-yl]-2-methylcyclohexane-1-carboxamide is CC(CCN(C)C)NC(=O)C1CC(N)CCC1C.
What is the InChIKey of 5-amino-N-[4-(dimethylamino)butan-2-yl]-2-methylcyclohexane-1-carboxamide?
The InChIKey is MVSWLJFKEQFLCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-10-5-6-12(15)9-13(10)14(18)16-11(2)7-8-17(3)4/h10-13H,5-9,15H2,1-4H3,(H,16,18).
What are the key properties of 5-amino-N-[4-(dimethylamino)butan-2-yl]-2-methylcyclohexane-1-carboxamide?
5-amino-N-[4-(dimethylamino)butan-2-yl]-2-methylcyclohexane-1-carboxamide has a molecular weight of 255.41 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[4-(dimethylamino)butan-2-yl]-2-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 62782765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).