6-amino-2-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)heptanamide

C16H28N2OS — CID 65290946

IUPAC6-amino-2-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)heptanamide
SMILESCC(N)CCCC(C)C(=O)NC(c1cccs1)C(C)C
InChIInChI=1S/C16H28N2OS/c1-11(2)15(14-9-6-10-20-14)18-16(19)12(3)7-5-8-13(4)17/h6,9-13,15H,5,7-8,17H2,1-4H3,(H,18,19)
InChIKeyOKOIAWQDVZLVSD-UHFFFAOYSA-N
MW296.48 g/mol
LogP3.71
Rot. Bonds8

About 6-amino-2-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)heptanamide

6-amino-2-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)heptanamide (PubChem CID 65290946) has the molecular formula C16H28N2OS and a molecular weight of 296.48 g/mol. Its IUPAC name is 6-amino-2-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)heptanamide.

Molecular Properties

Compound Name6-amino-2-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)heptanamide
PubChem CID65290946
Molecular FormulaC16H28N2OS
Molecular Weight296.48 g/mol
Exact Mass296.19
IUPAC Name6-amino-2-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)heptanamide
SMILESCC(N)CCCC(C)C(=O)NC(c1cccs1)C(C)C
InChIInChI=1S/C16H28N2OS/c1-11(2)15(14-9-6-10-20-14)18-16(19)12(3)7-5-8-13(4)17/h6,9-13,15H,5,7-8,17H2,1-4H3,(H,18,19)
InChIKeyOKOIAWQDVZLVSD-UHFFFAOYSA-N
XLogP3.71
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-N-(2-methyl-1-thiophen-2-ylpropyl)hexanamide
CID 82848158
2-amino-N-(2-methyl-1-thiophen-2-ylpropyl)butanamide
CID 43709179
(2S)-2-amino-N-(2-methyl-1-thiophen-2-ylpropyl)butanamide
CID 79024579
5-amino-2-methyl-N-[(1R)-1-thiophen-2-ylethyl]pentanamide
CID 104685412
2-(aminomethyl)-N-(2-methyl-1-thiophen-2-ylpropyl)butanamide
CID 65225067
1,3-bis(2-methyl-1-thiophen-2-ylpropyl)urea
CID 47023834
2-bromo-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 63681207
2-bromo-3-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)butanamide
CID 43699738
5-amino-2-methyl-N-(1-thiophen-2-ylbutyl)pentanamide
CID 104684884
3-[(5-amino-2-methylpentanoyl)amino]-3-thiophen-2-ylpropanoic acid
CID 104684115
2-(aminomethyl)-4,4-dimethyl-N-(2-methyl-1-thiophen-2-ylpropyl)pentanamide
CID 107471377
2-amino-3-[(2-methyl-1-thiophen-2-ylpropyl)amino]propanamide
CID 103244688

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)heptanamide?
The IUPAC name of 6-amino-2-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)heptanamide (CID 65290946) is 6-amino-2-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)heptanamide.
What is the SMILES notation for 6-amino-2-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)heptanamide?
The canonical SMILES for 6-amino-2-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)heptanamide is CC(N)CCCC(C)C(=O)NC(c1cccs1)C(C)C.
What is the InChIKey of 6-amino-2-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)heptanamide?
The InChIKey is OKOIAWQDVZLVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2OS/c1-11(2)15(14-9-6-10-20-14)18-16(19)12(3)7-5-8-13(4)17/h6,9-13,15H,5,7-8,17H2,1-4H3,(H,18,19).
What are the key properties of 6-amino-2-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)heptanamide?
6-amino-2-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)heptanamide has a molecular weight of 296.48 g/mol, XLogP of 3.71, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)heptanamide is sourced from PubChem (CID 65290946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).