3-methyl-1-N-thiophen-3-ylbutane-1,3-diamine

C9H16N2S — CID 130538680

IUPAC3-methyl-1-N-thiophen-3-ylbutane-1,3-diamine
SMILESCC(C)(N)CCNc1ccsc1
InChIInChI=1S/C9H16N2S/c1-9(2,10)4-5-11-8-3-6-12-7-8/h3,6-7,11H,4-5,10H2,1-2H3
InChIKeyCAMHLUFTCFLUHK-UHFFFAOYSA-N
MW184.31 g/mol
LogP2.29
Rot. Bonds4

About 3-methyl-1-N-thiophen-3-ylbutane-1,3-diamine

3-methyl-1-N-thiophen-3-ylbutane-1,3-diamine (PubChem CID 130538680) has the molecular formula C9H16N2S and a molecular weight of 184.31 g/mol. Its IUPAC name is 3-methyl-1-N-thiophen-3-ylbutane-1,3-diamine.

Molecular Properties

Compound Name3-methyl-1-N-thiophen-3-ylbutane-1,3-diamine
PubChem CID130538680
Molecular FormulaC9H16N2S
Molecular Weight184.31 g/mol
Exact Mass184.10
IUPAC Name3-methyl-1-N-thiophen-3-ylbutane-1,3-diamine
SMILESCC(C)(N)CCNc1ccsc1
InChIInChI=1S/C9H16N2S/c1-9(2,10)4-5-11-8-3-6-12-7-8/h3,6-7,11H,4-5,10H2,1-2H3
InChIKeyCAMHLUFTCFLUHK-UHFFFAOYSA-N
XLogP2.29
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.31
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethylthiophen-3-amine hydrochloride
CID 165993990
N-butylthiophen-3-amine
CID 12181852
N,N-diethylthiophen-3-amine
CID 13586607
N,N-dibutylthiophen-3-amine
CID 138975972
N'-[(2S)-1-aminopropan-2-yl]-N-(5-fluorothiophen-3-yl)butane-1,4-diamine
CID 175605764
(3R)-3-N-[4-[(5-fluorothiophen-3-yl)amino]butyl]butane-1,3-diamine
CID 175605778
N'-[(2R)-1-aminopropan-2-yl]-N-(5-fluorothiophen-3-yl)butane-1,4-diamine
CID 175605784
N-[(2S)-2-aminopropyl]-N'-(5-fluorothiophen-3-yl)butane-1,4-diamine
CID 175605786
N-methylthiophen-3-amine
CID 642344
Methyl-thiophen-3-yl-ammonium chloride
CID 52987608
N-prop-2-enylthiophen-3-amine
CID 55300554
N,N-di(propan-2-yl)thiophen-3-amine
CID 102487871

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-N-thiophen-3-ylbutane-1,3-diamine?
The IUPAC name of 3-methyl-1-N-thiophen-3-ylbutane-1,3-diamine (CID 130538680) is 3-methyl-1-N-thiophen-3-ylbutane-1,3-diamine.
What is the SMILES notation for 3-methyl-1-N-thiophen-3-ylbutane-1,3-diamine?
The canonical SMILES for 3-methyl-1-N-thiophen-3-ylbutane-1,3-diamine is CC(C)(N)CCNc1ccsc1.
What is the InChIKey of 3-methyl-1-N-thiophen-3-ylbutane-1,3-diamine?
The InChIKey is CAMHLUFTCFLUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2S/c1-9(2,10)4-5-11-8-3-6-12-7-8/h3,6-7,11H,4-5,10H2,1-2H3.
What are the key properties of 3-methyl-1-N-thiophen-3-ylbutane-1,3-diamine?
3-methyl-1-N-thiophen-3-ylbutane-1,3-diamine has a molecular weight of 184.31 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-N-thiophen-3-ylbutane-1,3-diamine is sourced from PubChem (CID 130538680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).