2-(cyclohex-3-en-1-ylmethylamino)-N-propylpropanamide

C13H24N2O — CID 43224054

IUPAC2-(cyclohex-3-en-1-ylmethylamino)-N-propylpropanamide
SMILESCCCNC(=O)C(C)NCC1CC=CCC1
InChIInChI=1S/C13H24N2O/c1-3-9-14-13(16)11(2)15-10-12-7-5-4-6-8-12/h4-5,11-12,15H,3,6-10H2,1-2H3,(H,14,16)
InChIKeyXBLPNZPBZUVDDJ-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.85
Rot. Bonds6

About 2-(cyclohex-3-en-1-ylmethylamino)-N-propylpropanamide

2-(cyclohex-3-en-1-ylmethylamino)-N-propylpropanamide (PubChem CID 43224054) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 2-(cyclohex-3-en-1-ylmethylamino)-N-propylpropanamide.

Molecular Properties

Compound Name2-(cyclohex-3-en-1-ylmethylamino)-N-propylpropanamide
PubChem CID43224054
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name2-(cyclohex-3-en-1-ylmethylamino)-N-propylpropanamide
SMILESCCCNC(=O)C(C)NCC1CC=CCC1
InChIInChI=1S/C13H24N2O/c1-3-9-14-13(16)11(2)15-10-12-7-5-4-6-8-12/h4-5,11-12,15H,3,6-10H2,1-2H3,(H,14,16)
InChIKeyXBLPNZPBZUVDDJ-UHFFFAOYSA-N
XLogP1.85
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(1-cyclohexen-1-yl)ethyl]-N'-(3-methylbutyl)ethanediamide
CID 2291103
(2S,3S)-2-amino-1-(5,6-dihydropyridin-1(2H)-yl)-3-methylpentan-1-one
CID 10774283
2-Amino-1-(3,6-dihydro-2H-pyridin-1-yl)-3-methyl-pentan-1-one
CID 44364213
(2R)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 73352938
(2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 73356020
(2S)-2-amino-N-[(2S)-1-[[(2S,6S)-2-cyclohexyl-1-methyl-7-oxo-5,6-dihydro-2H-azepin-6-yl]amino]-1-oxopropan-2-yl]propanamide
CID 122184829
N-cyclobutyl-N'-{[(4S)-4-(prop-1-en-2-yl)cyclohex-1-en-1-yl]methyl}ethanediamide
CID 167714471
N-[(4-fluorocyclohex-3-en-1-yl)methyl]pyrrolidine-2-carboxamide
CID 172877858
N-{2-[(3-cyclohexen-1-ylcarbonyl)amino]ethyl}-3-cyclohexene-1-carboxamide
CID 4049315
2-[[(1S)-cyclohex-2-en-1-yl]amino]-N,N,2-trimethylpropanamide
CID 95627711
(3S)-4-(cyclopent-3-ene-1-carbonyl)-3-methylpiperazin-2-one
CID 96740616
N'-(3,7-dimethyloct-6-enyl)-N-methyloxamide
CID 59266744

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohex-3-en-1-ylmethylamino)-N-propylpropanamide?
The IUPAC name of 2-(cyclohex-3-en-1-ylmethylamino)-N-propylpropanamide (CID 43224054) is 2-(cyclohex-3-en-1-ylmethylamino)-N-propylpropanamide.
What is the SMILES notation for 2-(cyclohex-3-en-1-ylmethylamino)-N-propylpropanamide?
The canonical SMILES for 2-(cyclohex-3-en-1-ylmethylamino)-N-propylpropanamide is CCCNC(=O)C(C)NCC1CC=CCC1.
What is the InChIKey of 2-(cyclohex-3-en-1-ylmethylamino)-N-propylpropanamide?
The InChIKey is XBLPNZPBZUVDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-3-9-14-13(16)11(2)15-10-12-7-5-4-6-8-12/h4-5,11-12,15H,3,6-10H2,1-2H3,(H,14,16).
What are the key properties of 2-(cyclohex-3-en-1-ylmethylamino)-N-propylpropanamide?
2-(cyclohex-3-en-1-ylmethylamino)-N-propylpropanamide has a molecular weight of 224.35 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohex-3-en-1-ylmethylamino)-N-propylpropanamide is sourced from PubChem (CID 43224054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).