2-(cyclohexylmethyl)-3-methyl-N-[3-(methylamino)propyl]butanamide

C16H32N2O — CID 119432403

IUPAC2-(cyclohexylmethyl)-3-methyl-N-[3-(methylamino)propyl]butanamide
SMILESCNCCCNC(=O)C(CC1CCCCC1)C(C)C
InChIInChI=1S/C16H32N2O/c1-13(2)15(12-14-8-5-4-6-9-14)16(19)18-11-7-10-17-3/h13-15,17H,4-12H2,1-3H3,(H,18,19)
InChIKeyCPNFCTRDILCOBM-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.95
Rot. Bonds8

About 2-(cyclohexylmethyl)-3-methyl-N-[3-(methylamino)propyl]butanamide

2-(cyclohexylmethyl)-3-methyl-N-[3-(methylamino)propyl]butanamide (PubChem CID 119432403) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 2-(cyclohexylmethyl)-3-methyl-N-[3-(methylamino)propyl]butanamide.

Molecular Properties

Compound Name2-(cyclohexylmethyl)-3-methyl-N-[3-(methylamino)propyl]butanamide
PubChem CID119432403
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name2-(cyclohexylmethyl)-3-methyl-N-[3-(methylamino)propyl]butanamide
SMILESCNCCCNC(=O)C(CC1CCCCC1)C(C)C
InChIInChI=1S/C16H32N2O/c1-13(2)15(12-14-8-5-4-6-9-14)16(19)18-11-7-10-17-3/h13-15,17H,4-12H2,1-3H3,(H,18,19)
InChIKeyCPNFCTRDILCOBM-UHFFFAOYSA-N
XLogP2.95
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclohexylmethyl)-N-[(4-hydroxyoxan-4-yl)methyl]-3-methylbutanamide
CID 111486098
N-(cyclohexylmethyl)-3-methyl-2-(methylaminomethyl)butanamide
CID 115187727
(2S)-2-(cyclohexylmethyl)-3-methylbutanoic acid
CID 22877220
2-cycloheptyl-N-[3-(methylamino)propyl]acetamide;hydrochloride
CID 119432481
(2S,4S)-5-amino-N-butyl-6-cyclohexyl-4-hydroxy-2-propan-2-ylhexanamide
CID 58964067
N-(3-aminopropyl)-3-cyclohexyl-2-methylpropanamide
CID 119407411
2-(cyclohexylmethyl)-3-methyl-N-pyrrolidin-3-ylbutanamide
CID 119452441
2-(cyclohexylmethyl)-N-[2-(methylamino)ethyl]butanamide;hydrochloride
CID 119500875
N-butyl-6-cyclohexyl-4-hydroxy-5-(pentylamino)-2-propan-2-ylhexanamide;hydrochloride
CID 67704025
2-acetamido-2-cyclopentyl-N-[3-(methylamino)propyl]acetamide;hydrochloride
CID 119430086
N-[(1R)-1-cycloheptylethyl]-4-(methylamino)butanamide
CID 81392455
2-cyclohexyl-2-[3-(methylamino)propylcarbamoylamino]acetic acid
CID 61404684

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethyl)-3-methyl-N-[3-(methylamino)propyl]butanamide?
The IUPAC name of 2-(cyclohexylmethyl)-3-methyl-N-[3-(methylamino)propyl]butanamide (CID 119432403) is 2-(cyclohexylmethyl)-3-methyl-N-[3-(methylamino)propyl]butanamide.
What is the SMILES notation for 2-(cyclohexylmethyl)-3-methyl-N-[3-(methylamino)propyl]butanamide?
The canonical SMILES for 2-(cyclohexylmethyl)-3-methyl-N-[3-(methylamino)propyl]butanamide is CNCCCNC(=O)C(CC1CCCCC1)C(C)C.
What is the InChIKey of 2-(cyclohexylmethyl)-3-methyl-N-[3-(methylamino)propyl]butanamide?
The InChIKey is CPNFCTRDILCOBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-13(2)15(12-14-8-5-4-6-9-14)16(19)18-11-7-10-17-3/h13-15,17H,4-12H2,1-3H3,(H,18,19).
What are the key properties of 2-(cyclohexylmethyl)-3-methyl-N-[3-(methylamino)propyl]butanamide?
2-(cyclohexylmethyl)-3-methyl-N-[3-(methylamino)propyl]butanamide has a molecular weight of 268.44 g/mol, XLogP of 2.95, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethyl)-3-methyl-N-[3-(methylamino)propyl]butanamide is sourced from PubChem (CID 119432403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).