3-[(4-methylcycloheptyl)amino]-N-propan-2-ylpropanamide

C14H28N2O — CID 113409685

IUPAC3-[(4-methylcycloheptyl)amino]-N-propan-2-ylpropanamide
SMILESCC1CCCC(NCCC(=O)NC(C)C)CC1
InChIInChI=1S/C14H28N2O/c1-11(2)16-14(17)9-10-15-13-6-4-5-12(3)7-8-13/h11-13,15H,4-10H2,1-3H3,(H,16,17)
InChIKeyYBTXZBCZNAEWFJ-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.46
Rot. Bonds5

About 3-[(4-methylcycloheptyl)amino]-N-propan-2-ylpropanamide

3-[(4-methylcycloheptyl)amino]-N-propan-2-ylpropanamide (PubChem CID 113409685) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 3-[(4-methylcycloheptyl)amino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[(4-methylcycloheptyl)amino]-N-propan-2-ylpropanamide
PubChem CID113409685
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name3-[(4-methylcycloheptyl)amino]-N-propan-2-ylpropanamide
SMILESCC1CCCC(NCCC(=O)NC(C)C)CC1
InChIInChI=1S/C14H28N2O/c1-11(2)16-14(17)9-10-15-13-6-4-5-12(3)7-8-13/h11-13,15H,4-10H2,1-3H3,(H,16,17)
InChIKeyYBTXZBCZNAEWFJ-UHFFFAOYSA-N
XLogP2.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-propan-2-yl-3-[(4-propan-2-ylcycloheptyl)amino]propanamide
CID 115756514
3-(cyclopropylamino)-N-[3-oxo-3-(propan-2-ylamino)propyl]propanamide
CID 113410047
3-[(3,4-dimethylcyclohexyl)amino]-N-propan-2-ylpropanamide
CID 64742875
N-propan-2-yl-3-(spiro[4.5]decan-8-ylamino)propanamide
CID 114817884
3-[[(1R,2R)-2-hydroxycyclopentyl]amino]-N-propan-2-ylpropanamide
CID 102734013
N-butan-2-yl-3-(cyclohexylamino)propanamide
CID 60956493
3-[(4-propan-2-ylcycloheptyl)amino]-N-propylpropanamide
CID 65091127
3-(cyclobutylamino)-N-cyclopropylpropanamide
CID 62627198
N,N-dimethyl-4-[[3-oxo-3-(propan-2-ylamino)propyl]amino]piperidine-1-carboxamide
CID 115899595
5-[(4-methylcycloheptyl)amino]pentan-2-ol
CID 106121910
2-[3-(cyclopropylamino)propanoylamino]-N,N-dimethylpropanamide
CID 60867427
3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]-N-propan-2-ylpropanamide
CID 115709099

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylcycloheptyl)amino]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[(4-methylcycloheptyl)amino]-N-propan-2-ylpropanamide (CID 113409685) is 3-[(4-methylcycloheptyl)amino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[(4-methylcycloheptyl)amino]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[(4-methylcycloheptyl)amino]-N-propan-2-ylpropanamide is CC1CCCC(NCCC(=O)NC(C)C)CC1.
What is the InChIKey of 3-[(4-methylcycloheptyl)amino]-N-propan-2-ylpropanamide?
The InChIKey is YBTXZBCZNAEWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-11(2)16-14(17)9-10-15-13-6-4-5-12(3)7-8-13/h11-13,15H,4-10H2,1-3H3,(H,16,17).
What are the key properties of 3-[(4-methylcycloheptyl)amino]-N-propan-2-ylpropanamide?
3-[(4-methylcycloheptyl)amino]-N-propan-2-ylpropanamide has a molecular weight of 240.39 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylcycloheptyl)amino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 113409685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).