4-amino-N-[4-(dimethylamino)butyl]-2-methylcyclohexane-1-carboxamide

C14H29N3O — CID 62782762

IUPAC4-amino-N-[4-(dimethylamino)butyl]-2-methylcyclohexane-1-carboxamide
SMILESCC1CC(N)CCC1C(=O)NCCCCN(C)C
InChIInChI=1S/C14H29N3O/c1-11-10-12(15)6-7-13(11)14(18)16-8-4-5-9-17(2)3/h11-13H,4-10,15H2,1-3H3,(H,16,18)
InChIKeyCFCNYRGVNYWMDC-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.21
Rot. Bonds6

About 4-amino-N-[4-(dimethylamino)butyl]-2-methylcyclohexane-1-carboxamide

4-amino-N-[4-(dimethylamino)butyl]-2-methylcyclohexane-1-carboxamide (PubChem CID 62782762) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 4-amino-N-[4-(dimethylamino)butyl]-2-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-[4-(dimethylamino)butyl]-2-methylcyclohexane-1-carboxamide
PubChem CID62782762
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name4-amino-N-[4-(dimethylamino)butyl]-2-methylcyclohexane-1-carboxamide
SMILESCC1CC(N)CCC1C(=O)NCCCCN(C)C
InChIInChI=1S/C14H29N3O/c1-11-10-12(15)6-7-13(11)14(18)16-8-4-5-9-17(2)3/h11-13H,4-10,15H2,1-3H3,(H,16,18)
InChIKeyCFCNYRGVNYWMDC-UHFFFAOYSA-N
XLogP1.21
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-(dimethylamino)butyl]-2-methylcyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-[4-(dimethylamino)butyl]-2-methylcyclohexane-1-carboxamide (CID 62782762) is 4-amino-N-[4-(dimethylamino)butyl]-2-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-[4-(dimethylamino)butyl]-2-methylcyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-[4-(dimethylamino)butyl]-2-methylcyclohexane-1-carboxamide is CC1CC(N)CCC1C(=O)NCCCCN(C)C.
What is the InChIKey of 4-amino-N-[4-(dimethylamino)butyl]-2-methylcyclohexane-1-carboxamide?
The InChIKey is CFCNYRGVNYWMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-11-10-12(15)6-7-13(11)14(18)16-8-4-5-9-17(2)3/h11-13H,4-10,15H2,1-3H3,(H,16,18).
What are the key properties of 4-amino-N-[4-(dimethylamino)butyl]-2-methylcyclohexane-1-carboxamide?
4-amino-N-[4-(dimethylamino)butyl]-2-methylcyclohexane-1-carboxamide has a molecular weight of 255.41 g/mol, XLogP of 1.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4-(dimethylamino)butyl]-2-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 62782762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).