N-(3-methoxypropyl)thiophen-3-amine

C8H13NOS — CID 66353037

IUPACN-(3-methoxypropyl)thiophen-3-amine
SMILESCOCCCNc1ccsc1
InChIInChI=1S/C8H13NOS/c1-10-5-2-4-9-8-3-6-11-7-8/h3,6-7,9H,2,4-5H2,1H3
InChIKeyWWXYCQZZQUYQSN-UHFFFAOYSA-N
MW171.27 g/mol
LogP2.20
Rot. Bonds5

About N-(3-methoxypropyl)thiophen-3-amine

N-(3-methoxypropyl)thiophen-3-amine (PubChem CID 66353037) has the molecular formula C8H13NOS and a molecular weight of 171.27 g/mol. Its IUPAC name is N-(3-methoxypropyl)thiophen-3-amine.

Molecular Properties

Compound NameN-(3-methoxypropyl)thiophen-3-amine
PubChem CID66353037
Molecular FormulaC8H13NOS
Molecular Weight171.27 g/mol
Exact Mass171.07
IUPAC NameN-(3-methoxypropyl)thiophen-3-amine
SMILESCOCCCNc1ccsc1
InChIInChI=1S/C8H13NOS/c1-10-5-2-4-9-8-3-6-11-7-8/h3,6-7,9H,2,4-5H2,1H3
InChIKeyWWXYCQZZQUYQSN-UHFFFAOYSA-N
XLogP2.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.27
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-methoxy-3-methylbutyl)thiophen-3-amine
CID 103033422
3-methyl-1-N-thiophen-3-ylbutane-1,3-diamine
CID 130538680
4-methoxy-N-(3-methoxypropyl)aniline
CID 60925973
N-[2-(4-methoxyphenyl)ethyl]thiophen-3-amine
CID 66350177
N-(4-methoxybutyl)aniline
CID 13042774
N-(3-pyrrolidin-1-ylpropyl)thiophen-3-amine
CID 66352590
4-(6-methoxyhexylamino)phenol
CID 162494970
5-methoxy-N-(thiophen-3-ylmethyl)pentan-1-amine
CID 103631875
3-bromo-N-(4-methoxybutyl)-4-methylaniline
CID 115776882
N-(2-tert-butylsulfonylethyl)thiophen-3-amine
CID 106723948
N-(3-methoxypropyl)-4-(trifluoromethoxy)aniline
CID 54935363
N-(3-methoxypropyl)-2-thiophen-3-ylquinazolin-4-amine
CID 78805402

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)thiophen-3-amine?
The IUPAC name of N-(3-methoxypropyl)thiophen-3-amine (CID 66353037) is N-(3-methoxypropyl)thiophen-3-amine.
What is the SMILES notation for N-(3-methoxypropyl)thiophen-3-amine?
The canonical SMILES for N-(3-methoxypropyl)thiophen-3-amine is COCCCNc1ccsc1.
What is the InChIKey of N-(3-methoxypropyl)thiophen-3-amine?
The InChIKey is WWXYCQZZQUYQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NOS/c1-10-5-2-4-9-8-3-6-11-7-8/h3,6-7,9H,2,4-5H2,1H3.
What are the key properties of N-(3-methoxypropyl)thiophen-3-amine?
N-(3-methoxypropyl)thiophen-3-amine has a molecular weight of 171.27 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)thiophen-3-amine is sourced from PubChem (CID 66353037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).