N-(3-aminobutyl)-4-(2,5-dimethylthiophen-3-yl)butanamide

C14H24N2OS — CID 119499768

IUPACN-(3-aminobutyl)-4-(2,5-dimethylthiophen-3-yl)butanamide
SMILESCc1cc(CCCC(=O)NCCC(C)N)c(C)s1
InChIInChI=1S/C14H24N2OS/c1-10(15)7-8-16-14(17)6-4-5-13-9-11(2)18-12(13)3/h9-10H,4-8,15H2,1-3H3,(H,16,17)
InChIKeyGDJGYVJEKSFUBE-UHFFFAOYSA-N
MW268.43 g/mol
LogP2.54
Rot. Bonds7

About N-(3-aminobutyl)-4-(2,5-dimethylthiophen-3-yl)butanamide

N-(3-aminobutyl)-4-(2,5-dimethylthiophen-3-yl)butanamide (PubChem CID 119499768) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is N-(3-aminobutyl)-4-(2,5-dimethylthiophen-3-yl)butanamide.

Molecular Properties

Compound NameN-(3-aminobutyl)-4-(2,5-dimethylthiophen-3-yl)butanamide
PubChem CID119499768
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC NameN-(3-aminobutyl)-4-(2,5-dimethylthiophen-3-yl)butanamide
SMILESCc1cc(CCCC(=O)NCCC(C)N)c(C)s1
InChIInChI=1S/C14H24N2OS/c1-10(15)7-8-16-14(17)6-4-5-13-9-11(2)18-12(13)3/h9-10H,4-8,15H2,1-3H3,(H,16,17)
InChIKeyGDJGYVJEKSFUBE-UHFFFAOYSA-N
XLogP2.54
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 ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-4-(2,5-dimethylthiophen-3-yl)butanamide?
The IUPAC name of N-(3-aminobutyl)-4-(2,5-dimethylthiophen-3-yl)butanamide (CID 119499768) is N-(3-aminobutyl)-4-(2,5-dimethylthiophen-3-yl)butanamide.
What is the SMILES notation for N-(3-aminobutyl)-4-(2,5-dimethylthiophen-3-yl)butanamide?
The canonical SMILES for N-(3-aminobutyl)-4-(2,5-dimethylthiophen-3-yl)butanamide is Cc1cc(CCCC(=O)NCCC(C)N)c(C)s1.
What is the InChIKey of N-(3-aminobutyl)-4-(2,5-dimethylthiophen-3-yl)butanamide?
The InChIKey is GDJGYVJEKSFUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-10(15)7-8-16-14(17)6-4-5-13-9-11(2)18-12(13)3/h9-10H,4-8,15H2,1-3H3,(H,16,17).
What are the key properties of N-(3-aminobutyl)-4-(2,5-dimethylthiophen-3-yl)butanamide?
N-(3-aminobutyl)-4-(2,5-dimethylthiophen-3-yl)butanamide has a molecular weight of 268.43 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-4-(2,5-dimethylthiophen-3-yl)butanamide is sourced from PubChem (CID 119499768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).