6-amino-2-methyl-N-[(5-methylthiophen-2-yl)methyl]heptanamide

C14H24N2OS — CID 65291508

IUPAC6-amino-2-methyl-N-[(5-methylthiophen-2-yl)methyl]heptanamide
SMILESCc1ccc(CNC(=O)C(C)CCCC(C)N)s1
InChIInChI=1S/C14H24N2OS/c1-10(5-4-6-11(2)15)14(17)16-9-13-8-7-12(3)18-13/h7-8,10-11H,4-6,9,15H2,1-3H3,(H,16,17)
InChIKeyCNUCTDHHQFCNGM-UHFFFAOYSA-N
MW268.43 g/mol
LogP2.83
Rot. Bonds7

About 6-amino-2-methyl-N-[(5-methylthiophen-2-yl)methyl]heptanamide

6-amino-2-methyl-N-[(5-methylthiophen-2-yl)methyl]heptanamide (PubChem CID 65291508) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is 6-amino-2-methyl-N-[(5-methylthiophen-2-yl)methyl]heptanamide.

Molecular Properties

Compound Name6-amino-2-methyl-N-[(5-methylthiophen-2-yl)methyl]heptanamide
PubChem CID65291508
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC Name6-amino-2-methyl-N-[(5-methylthiophen-2-yl)methyl]heptanamide
SMILESCc1ccc(CNC(=O)C(C)CCCC(C)N)s1
InChIInChI=1S/C14H24N2OS/c1-10(5-4-6-11(2)15)14(17)16-9-13-8-7-12(3)18-13/h7-8,10-11H,4-6,9,15H2,1-3H3,(H,16,17)
InChIKeyCNUCTDHHQFCNGM-UHFFFAOYSA-N
XLogP2.83
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[(5-methylthiophen-2-yl)methyl]butanamide
CID 79022853
(2S)-2-ethoxy-N-[(5-methylthiophen-2-yl)methyl]propanamide
CID 94824862
(2R)-2-amino-N-[(5-methylthiophen-2-yl)methyl]-2-phenylacetamide
CID 62058382
(2S)-2-amino-3,3-dimethyl-N-[(5-methylthiophen-2-yl)methyl]butanamide;hydrochloride
CID 119709408
2-amino-4-methoxy-N-[(5-methylthiophen-2-yl)methyl]butanamide
CID 62475607
6-amino-2-methyl-N-[(4-propan-2-ylphenyl)methyl]heptanamide
CID 65291164
1-N-[(5-methylthiophen-2-yl)methyl]butane-1,3-diamine
CID 62056567
6-amino-N-[(3-fluoro-4-methylphenyl)methyl]-2-methylheptanamide
CID 65292863
3-methyl-N-[(5-methylthiophen-2-yl)methyl]butanamide
CID 110733947
1-[2-(2-hydroxyethyl)-4-methylpentyl]-3-[(5-methylthiophen-2-yl)methyl]urea
CID 111504487
6-amino-2-methyl-N-(pyridin-3-ylmethyl)heptanamide
CID 65292854
6-amino-2-methyl-N-propylheptanamide
CID 65292773

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-methyl-N-[(5-methylthiophen-2-yl)methyl]heptanamide?
The IUPAC name of 6-amino-2-methyl-N-[(5-methylthiophen-2-yl)methyl]heptanamide (CID 65291508) is 6-amino-2-methyl-N-[(5-methylthiophen-2-yl)methyl]heptanamide.
What is the SMILES notation for 6-amino-2-methyl-N-[(5-methylthiophen-2-yl)methyl]heptanamide?
The canonical SMILES for 6-amino-2-methyl-N-[(5-methylthiophen-2-yl)methyl]heptanamide is Cc1ccc(CNC(=O)C(C)CCCC(C)N)s1.
What is the InChIKey of 6-amino-2-methyl-N-[(5-methylthiophen-2-yl)methyl]heptanamide?
The InChIKey is CNUCTDHHQFCNGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-10(5-4-6-11(2)15)14(17)16-9-13-8-7-12(3)18-13/h7-8,10-11H,4-6,9,15H2,1-3H3,(H,16,17).
What are the key properties of 6-amino-2-methyl-N-[(5-methylthiophen-2-yl)methyl]heptanamide?
6-amino-2-methyl-N-[(5-methylthiophen-2-yl)methyl]heptanamide has a molecular weight of 268.43 g/mol, XLogP of 2.83, 7 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-[(5-methylthiophen-2-yl)methyl]heptanamide is sourced from PubChem (CID 65291508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).