2-[(2-methylcyclohexyl)methylamino]-N-propan-2-ylpropanamide

C14H28N2O — CID 55013491

IUPAC2-[(2-methylcyclohexyl)methylamino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)NCC1CCCCC1C
InChIInChI=1S/C14H28N2O/c1-10(2)16-14(17)12(4)15-9-13-8-6-5-7-11(13)3/h10-13,15H,5-9H2,1-4H3,(H,16,17)
InChIKeyXVFWOAGOQZTYBP-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.32
Rot. Bonds5

About 2-[(2-methylcyclohexyl)methylamino]-N-propan-2-ylpropanamide

2-[(2-methylcyclohexyl)methylamino]-N-propan-2-ylpropanamide (PubChem CID 55013491) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-[(2-methylcyclohexyl)methylamino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-[(2-methylcyclohexyl)methylamino]-N-propan-2-ylpropanamide
PubChem CID55013491
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name2-[(2-methylcyclohexyl)methylamino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)NCC1CCCCC1C
InChIInChI=1S/C14H28N2O/c1-10(2)16-14(17)12(4)15-9-13-8-6-5-7-11(13)3/h10-13,15H,5-9H2,1-4H3,(H,16,17)
InChIKeyXVFWOAGOQZTYBP-UHFFFAOYSA-N
XLogP2.32
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 ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-methylcyclopentyl)methylamino]-N-pentan-3-ylpropanamide
CID 107417924
N-(3-methoxypropyl)-2-[(2-methylcyclohexyl)methylamino]propanamide
CID 55013493
2-[(2-methylcyclopentyl)methylamino]-1-piperidin-1-ylpropan-1-one
CID 107418174
2-[(2-methylcyclohexyl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 55013356
1-cyclopentyl-N-[(2-methylcyclopentyl)methyl]ethanamine
CID 107416947
methyl 2-methyl-3-[(2-methylcyclohexyl)methylamino]butanoate
CID 79391970
1-cyclopropyl-N-[(2-methylcyclohexyl)methyl]propan-2-amine
CID 115713187
2-(oxan-4-ylmethylamino)-N-propan-2-ylpropanamide
CID 63711162
(2S)-2-amino-N-[(2-methylcyclopentyl)methyl]propanamide
CID 107418588
N-cyclopropyl-2-[(2-hydroxycyclohexyl)methylamino]propanamide
CID 64913669
(2S)-N-cyclopentyl-2-[[(1S,2S)-2-hydroxycyclohexyl]methylamino]propanamide
CID 97046649
1-ethylsulfonyl-N-[(2-methylcyclohexyl)methyl]propan-2-amine
CID 115900849

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylcyclohexyl)methylamino]-N-propan-2-ylpropanamide?
The IUPAC name of 2-[(2-methylcyclohexyl)methylamino]-N-propan-2-ylpropanamide (CID 55013491) is 2-[(2-methylcyclohexyl)methylamino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-[(2-methylcyclohexyl)methylamino]-N-propan-2-ylpropanamide?
The canonical SMILES for 2-[(2-methylcyclohexyl)methylamino]-N-propan-2-ylpropanamide is CC(C)NC(=O)C(C)NCC1CCCCC1C.
What is the InChIKey of 2-[(2-methylcyclohexyl)methylamino]-N-propan-2-ylpropanamide?
The InChIKey is XVFWOAGOQZTYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-10(2)16-14(17)12(4)15-9-13-8-6-5-7-11(13)3/h10-13,15H,5-9H2,1-4H3,(H,16,17).
What are the key properties of 2-[(2-methylcyclohexyl)methylamino]-N-propan-2-ylpropanamide?
2-[(2-methylcyclohexyl)methylamino]-N-propan-2-ylpropanamide has a molecular weight of 240.39 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylcyclohexyl)methylamino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 55013491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).