N-butyl-N-[3-(cyclohexylamino)propyl]-3,3-dimethylbutanamide

C19H38N2O — CID 58847990

IUPACN-butyl-N-[3-(cyclohexylamino)propyl]-3,3-dimethylbutanamide
SMILESCCCCN(CCCNC1CCCCC1)C(=O)CC(C)(C)C
InChIInChI=1S/C19H38N2O/c1-5-6-14-21(18(22)16-19(2,3)4)15-10-13-20-17-11-8-7-9-12-17/h17,20H,5-16H2,1-4H3
InChIKeyQGQSJJZCONWUDW-UHFFFAOYSA-N
MW310.53 g/mol
LogP4.36
Rot. Bonds9

About N-butyl-N-[3-(cyclohexylamino)propyl]-3,3-dimethylbutanamide

N-butyl-N-[3-(cyclohexylamino)propyl]-3,3-dimethylbutanamide (PubChem CID 58847990) has the molecular formula C19H38N2O and a molecular weight of 310.53 g/mol. Its IUPAC name is N-butyl-N-[3-(cyclohexylamino)propyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-butyl-N-[3-(cyclohexylamino)propyl]-3,3-dimethylbutanamide
PubChem CID58847990
Molecular FormulaC19H38N2O
Molecular Weight310.53 g/mol
Exact Mass310.30
IUPAC NameN-butyl-N-[3-(cyclohexylamino)propyl]-3,3-dimethylbutanamide
SMILESCCCCN(CCCNC1CCCCC1)C(=O)CC(C)(C)C
InChIInChI=1S/C19H38N2O/c1-5-6-14-21(18(22)16-19(2,3)4)15-10-13-20-17-11-8-7-9-12-17/h17,20H,5-16H2,1-4H3
InChIKeyQGQSJJZCONWUDW-UHFFFAOYSA-N
XLogP4.36
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.53
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N-butyl-N-[3-(cyclohexylamino)propyl]-3,3-dimethylbutanamide?
The IUPAC name of N-butyl-N-[3-(cyclohexylamino)propyl]-3,3-dimethylbutanamide (CID 58847990) is N-butyl-N-[3-(cyclohexylamino)propyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-butyl-N-[3-(cyclohexylamino)propyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-butyl-N-[3-(cyclohexylamino)propyl]-3,3-dimethylbutanamide is CCCCN(CCCNC1CCCCC1)C(=O)CC(C)(C)C.
What is the InChIKey of N-butyl-N-[3-(cyclohexylamino)propyl]-3,3-dimethylbutanamide?
The InChIKey is QGQSJJZCONWUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2O/c1-5-6-14-21(18(22)16-19(2,3)4)15-10-13-20-17-11-8-7-9-12-17/h17,20H,5-16H2,1-4H3.
What are the key properties of N-butyl-N-[3-(cyclohexylamino)propyl]-3,3-dimethylbutanamide?
N-butyl-N-[3-(cyclohexylamino)propyl]-3,3-dimethylbutanamide has a molecular weight of 310.53 g/mol, XLogP of 4.36, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[3-(cyclohexylamino)propyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 58847990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).