N-(3-methoxy-3-methylbutyl)thiophen-3-amine

C10H17NOS — CID 103033422

IUPACN-(3-methoxy-3-methylbutyl)thiophen-3-amine
SMILESCOC(C)(C)CCNc1ccsc1
InChIInChI=1S/C10H17NOS/c1-10(2,12-3)5-6-11-9-4-7-13-8-9/h4,7-8,11H,5-6H2,1-3H3
InChIKeyQZMQELAHVJNJSL-UHFFFAOYSA-N
MW199.32 g/mol
LogP2.98
Rot. Bonds5

About N-(3-methoxy-3-methylbutyl)thiophen-3-amine

N-(3-methoxy-3-methylbutyl)thiophen-3-amine (PubChem CID 103033422) has the molecular formula C10H17NOS and a molecular weight of 199.32 g/mol. Its IUPAC name is N-(3-methoxy-3-methylbutyl)thiophen-3-amine.

Molecular Properties

Compound NameN-(3-methoxy-3-methylbutyl)thiophen-3-amine
PubChem CID103033422
Molecular FormulaC10H17NOS
Molecular Weight199.32 g/mol
Exact Mass199.10
IUPAC NameN-(3-methoxy-3-methylbutyl)thiophen-3-amine
SMILESCOC(C)(C)CCNc1ccsc1
InChIInChI=1S/C10H17NOS/c1-10(2,12-3)5-6-11-9-4-7-13-8-9/h4,7-8,11H,5-6H2,1-3H3
InChIKeyQZMQELAHVJNJSL-UHFFFAOYSA-N
XLogP2.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-N-thiophen-3-ylbutane-1,3-diamine
CID 130538680
N-(3-methoxypropyl)thiophen-3-amine
CID 66353037
N-(2-fluoroethyl)thiophen-3-amine
CID 80697712
N-[2-(4-methoxyphenyl)ethyl]thiophen-3-amine
CID 66350177
N-(2-tert-butylsulfonylethyl)thiophen-3-amine
CID 106723948
2-methoxy-2-methyl-N-thiophen-3-ylpropanamide
CID 103678845
4-butyl-N-(3-methoxy-3-methylbutyl)aniline
CID 103033140
2-fluoro-N-(3-methoxy-3-methylbutyl)aniline
CID 102975543
3,5-dichloro-4-fluoro-N-(3-methoxy-3-methylbutyl)aniline
CID 107572836
4-fluoro-N-(3-methoxy-3-methylbutyl)-3-(trifluoromethyl)aniline
CID 102975771
3-[(3-methoxy-3-methylbutyl)amino]benzoic acid
CID 106675116
N-(3-methoxy-3-methylbutyl)-2,4,6-trimethylaniline
CID 102975622

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-3-methylbutyl)thiophen-3-amine?
The IUPAC name of N-(3-methoxy-3-methylbutyl)thiophen-3-amine (CID 103033422) is N-(3-methoxy-3-methylbutyl)thiophen-3-amine.
What is the SMILES notation for N-(3-methoxy-3-methylbutyl)thiophen-3-amine?
The canonical SMILES for N-(3-methoxy-3-methylbutyl)thiophen-3-amine is COC(C)(C)CCNc1ccsc1.
What is the InChIKey of N-(3-methoxy-3-methylbutyl)thiophen-3-amine?
The InChIKey is QZMQELAHVJNJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NOS/c1-10(2,12-3)5-6-11-9-4-7-13-8-9/h4,7-8,11H,5-6H2,1-3H3.
What are the key properties of N-(3-methoxy-3-methylbutyl)thiophen-3-amine?
N-(3-methoxy-3-methylbutyl)thiophen-3-amine has a molecular weight of 199.32 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-3-methylbutyl)thiophen-3-amine is sourced from PubChem (CID 103033422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).