5-(3-chlorothiophen-2-yl)-3-methylpentan-1-amine

C10H16ClNS — CID 80531602

IUPAC5-(3-chlorothiophen-2-yl)-3-methylpentan-1-amine
SMILESCC(CCN)CCc1sccc1Cl
InChIInChI=1S/C10H16ClNS/c1-8(4-6-12)2-3-10-9(11)5-7-13-10/h5,7-8H,2-4,6,12H2,1H3
InChIKeyQNRHNVDUUDCZGM-UHFFFAOYSA-N
MW217.76 g/mol
LogP3.32
Rot. Bonds5

About 5-(3-chlorothiophen-2-yl)-3-methylpentan-1-amine

5-(3-chlorothiophen-2-yl)-3-methylpentan-1-amine (PubChem CID 80531602) has the molecular formula C10H16ClNS and a molecular weight of 217.76 g/mol. Its IUPAC name is 5-(3-chlorothiophen-2-yl)-3-methylpentan-1-amine.

Molecular Properties

Compound Name5-(3-chlorothiophen-2-yl)-3-methylpentan-1-amine
PubChem CID80531602
Molecular FormulaC10H16ClNS
Molecular Weight217.76 g/mol
Exact Mass217.07
IUPAC Name5-(3-chlorothiophen-2-yl)-3-methylpentan-1-amine
SMILESCC(CCN)CCc1sccc1Cl
InChIInChI=1S/C10H16ClNS/c1-8(4-6-12)2-3-10-9(11)5-7-13-10/h5,7-8H,2-4,6,12H2,1H3
InChIKeyQNRHNVDUUDCZGM-UHFFFAOYSA-N
XLogP3.32
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.76
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromo-4-methylpentyl)-3-chlorothiophene
CID 107360882
1-(3-chlorothiophen-2-yl)-4,4-dimethylpentan-3-amine
CID 107360773
5-(3,5-dimethylthiophen-2-yl)-3-methylpentan-1-amine
CID 81157828
3-methyl-5-thiophen-2-ylpentan-1-amine
CID 65300701
1-(3-chlorothiophen-2-yl)-4,4-dimethyl-N-propylpentan-3-amine
CID 107360809
5-(1-benzothiophen-3-yl)-3-methylpentan-1-amine
CID 65300535
3-(3-chlorothiophen-2-yl)propan-1-ol
CID 55266094
3-amino-1-(3-chlorothiophen-2-yl)propan-1-ol
CID 80641547
2-[1-[2-(3-chlorothiophen-2-yl)ethyl]cyclohexyl]ethanamine
CID 80531724
5-(5-chloro-4-methylthiophen-2-yl)-3-methylpentan-1-amine
CID 102765223
N,2-dimethyl-N-(3-methylthiophen-2-yl)butane-1,4-diamine
CID 115202509
1-(3-chlorothiophen-2-yl)undecan-2-amine
CID 112749736

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorothiophen-2-yl)-3-methylpentan-1-amine?
The IUPAC name of 5-(3-chlorothiophen-2-yl)-3-methylpentan-1-amine (CID 80531602) is 5-(3-chlorothiophen-2-yl)-3-methylpentan-1-amine.
What is the SMILES notation for 5-(3-chlorothiophen-2-yl)-3-methylpentan-1-amine?
The canonical SMILES for 5-(3-chlorothiophen-2-yl)-3-methylpentan-1-amine is CC(CCN)CCc1sccc1Cl.
What is the InChIKey of 5-(3-chlorothiophen-2-yl)-3-methylpentan-1-amine?
The InChIKey is QNRHNVDUUDCZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClNS/c1-8(4-6-12)2-3-10-9(11)5-7-13-10/h5,7-8H,2-4,6,12H2,1H3.
What are the key properties of 5-(3-chlorothiophen-2-yl)-3-methylpentan-1-amine?
5-(3-chlorothiophen-2-yl)-3-methylpentan-1-amine has a molecular weight of 217.76 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorothiophen-2-yl)-3-methylpentan-1-amine is sourced from PubChem (CID 80531602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).