3-[(2-methyl-1-thiophen-2-ylpropyl)amino]pentan-1-ol

C13H23NOS — CID 115888558

IUPAC3-[(2-methyl-1-thiophen-2-ylpropyl)amino]pentan-1-ol
SMILESCCC(CCO)NC(c1cccs1)C(C)C
InChIInChI=1S/C13H23NOS/c1-4-11(7-8-15)14-13(10(2)3)12-6-5-9-16-12/h5-6,9-11,13-15H,4,7-8H2,1-3H3
InChIKeyLQWHJBBPYQHTJL-UHFFFAOYSA-N
MW241.40 g/mol
LogP3.20
Rot. Bonds7

About 3-[(2-methyl-1-thiophen-2-ylpropyl)amino]pentan-1-ol

3-[(2-methyl-1-thiophen-2-ylpropyl)amino]pentan-1-ol (PubChem CID 115888558) has the molecular formula C13H23NOS and a molecular weight of 241.40 g/mol. Its IUPAC name is 3-[(2-methyl-1-thiophen-2-ylpropyl)amino]pentan-1-ol.

Molecular Properties

Compound Name3-[(2-methyl-1-thiophen-2-ylpropyl)amino]pentan-1-ol
PubChem CID115888558
Molecular FormulaC13H23NOS
Molecular Weight241.40 g/mol
Exact Mass241.15
IUPAC Name3-[(2-methyl-1-thiophen-2-ylpropyl)amino]pentan-1-ol
SMILESCCC(CCO)NC(c1cccs1)C(C)C
InChIInChI=1S/C13H23NOS/c1-4-11(7-8-15)14-13(10(2)3)12-6-5-9-16-12/h5-6,9-11,13-15H,4,7-8H2,1-3H3
InChIKeyLQWHJBBPYQHTJL-UHFFFAOYSA-N
XLogP3.20
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]butan-1-ol
CID 103922693
5-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)heptan-3-amine
CID 43722998
N-(2-methyl-1-thiophen-2-ylpropyl)undecan-6-amine
CID 63448004
2-(1-thiophen-2-ylethylamino)butan-1-ol
CID 43207104
2-[(2-methyl-1-thiophen-2-ylpropyl)amino]butanamide
CID 62900414
3-(1-methoxybutan-2-ylamino)-3-thiophen-2-ylpropan-1-ol
CID 115723176
N-(2-methyl-1-thiophen-2-ylpropyl)hydroxylamine
CID 82685515
3-(1,2-dithiophen-2-ylethylamino)-4-methylpentan-1-ol
CID 103786463
N-[1-(2-methoxyphenyl)propyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 43783277
N-ethyl-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]propanamide
CID 43226431
N-[1-(4-fluorophenyl)propyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 43723054
2-(aminomethyl)-N-(2-methyl-1-thiophen-2-ylpropyl)butanamide
CID 65225067

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyl-1-thiophen-2-ylpropyl)amino]pentan-1-ol?
The IUPAC name of 3-[(2-methyl-1-thiophen-2-ylpropyl)amino]pentan-1-ol (CID 115888558) is 3-[(2-methyl-1-thiophen-2-ylpropyl)amino]pentan-1-ol.
What is the SMILES notation for 3-[(2-methyl-1-thiophen-2-ylpropyl)amino]pentan-1-ol?
The canonical SMILES for 3-[(2-methyl-1-thiophen-2-ylpropyl)amino]pentan-1-ol is CCC(CCO)NC(c1cccs1)C(C)C.
What is the InChIKey of 3-[(2-methyl-1-thiophen-2-ylpropyl)amino]pentan-1-ol?
The InChIKey is LQWHJBBPYQHTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NOS/c1-4-11(7-8-15)14-13(10(2)3)12-6-5-9-16-12/h5-6,9-11,13-15H,4,7-8H2,1-3H3.
What are the key properties of 3-[(2-methyl-1-thiophen-2-ylpropyl)amino]pentan-1-ol?
3-[(2-methyl-1-thiophen-2-ylpropyl)amino]pentan-1-ol has a molecular weight of 241.40 g/mol, XLogP of 3.20, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyl-1-thiophen-2-ylpropyl)amino]pentan-1-ol is sourced from PubChem (CID 115888558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).