2-[[2-(1-aminocyclohexyl)acetyl]amino]-N,N,4-trimethylpentanamide

C16H31N3O2 — CID 64685004

IUPAC2-[[2-(1-aminocyclohexyl)acetyl]amino]-N,N,4-trimethylpentanamide
SMILESCC(C)CC(NC(=O)CC1(N)CCCCC1)C(=O)N(C)C
InChIInChI=1S/C16H31N3O2/c1-12(2)10-13(15(21)19(3)4)18-14(20)11-16(17)8-6-5-7-9-16/h12-13H,5-11,17H2,1-4H3,(H,18,20)
InChIKeyDQSKHZLHLBENLE-UHFFFAOYSA-N
MW297.44 g/mol
LogP1.66
Rot. Bonds6

About 2-[[2-(1-aminocyclohexyl)acetyl]amino]-N,N,4-trimethylpentanamide

2-[[2-(1-aminocyclohexyl)acetyl]amino]-N,N,4-trimethylpentanamide (PubChem CID 64685004) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is 2-[[2-(1-aminocyclohexyl)acetyl]amino]-N,N,4-trimethylpentanamide.

Molecular Properties

Compound Name2-[[2-(1-aminocyclohexyl)acetyl]amino]-N,N,4-trimethylpentanamide
PubChem CID64685004
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Name2-[[2-(1-aminocyclohexyl)acetyl]amino]-N,N,4-trimethylpentanamide
SMILESCC(C)CC(NC(=O)CC1(N)CCCCC1)C(=O)N(C)C
InChIInChI=1S/C16H31N3O2/c1-12(2)10-13(15(21)19(3)4)18-14(20)11-16(17)8-6-5-7-9-16/h12-13H,5-11,17H2,1-4H3,(H,18,20)
InChIKeyDQSKHZLHLBENLE-UHFFFAOYSA-N
XLogP1.66
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(1-aminocyclopentyl)acetyl]amino]-N,N-dimethylpropanamide
CID 64685184
2-(1-aminocyclobutyl)-N-(1-hydroxy-4-methylpentan-2-yl)acetamide
CID 79853679
2-(1-aminocyclohexyl)-N-(1-cyclopentylethyl)acetamide
CID 64679071
2-(1-aminocyclohexyl)-N-[(1R)-1-cyclopentylethyl]acetamide
CID 81389349
2-(1-aminocyclohexyl)-N-(2-methylpentan-3-yl)acetamide
CID 64678828
2-(4-aminobutanoylamino)-N,N,4-trimethylpentanamide
CID 43699929
1-amino-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-3-methylcyclohexane-1-carboxamide
CID 64551440
(2S)-2-[[2-(1-aminocyclopentyl)acetyl]amino]pentanoic acid
CID 107565076
2-[[2-(1-aminocyclobutyl)acetyl]amino]propanamide
CID 79851893
2-(1-aminocyclopentyl)-N-(3-ethylpentan-2-yl)acetamide
CID 64676880
(2S,3S)-2-[[2-(1-aminocyclohexyl)acetyl]amino]-3-methylpentanoic acid
CID 64678791
2-[[2-(1-aminocyclohexyl)acetyl]amino]-N-propylpropanamide
CID 64684814

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1-aminocyclohexyl)acetyl]amino]-N,N,4-trimethylpentanamide?
The IUPAC name of 2-[[2-(1-aminocyclohexyl)acetyl]amino]-N,N,4-trimethylpentanamide (CID 64685004) is 2-[[2-(1-aminocyclohexyl)acetyl]amino]-N,N,4-trimethylpentanamide.
What is the SMILES notation for 2-[[2-(1-aminocyclohexyl)acetyl]amino]-N,N,4-trimethylpentanamide?
The canonical SMILES for 2-[[2-(1-aminocyclohexyl)acetyl]amino]-N,N,4-trimethylpentanamide is CC(C)CC(NC(=O)CC1(N)CCCCC1)C(=O)N(C)C.
What is the InChIKey of 2-[[2-(1-aminocyclohexyl)acetyl]amino]-N,N,4-trimethylpentanamide?
The InChIKey is DQSKHZLHLBENLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-12(2)10-13(15(21)19(3)4)18-14(20)11-16(17)8-6-5-7-9-16/h12-13H,5-11,17H2,1-4H3,(H,18,20).
What are the key properties of 2-[[2-(1-aminocyclohexyl)acetyl]amino]-N,N,4-trimethylpentanamide?
2-[[2-(1-aminocyclohexyl)acetyl]amino]-N,N,4-trimethylpentanamide has a molecular weight of 297.44 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1-aminocyclohexyl)acetyl]amino]-N,N,4-trimethylpentanamide is sourced from PubChem (CID 64685004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).