1-cyclopropyl-2-methyl-N-[(3-methylthiophen-2-yl)methyl]propan-1-amine

C13H21NS — CID 115712849

IUPAC1-cyclopropyl-2-methyl-N-[(3-methylthiophen-2-yl)methyl]propan-1-amine
SMILESCc1ccsc1CNC(C(C)C)C1CC1
InChIInChI=1S/C13H21NS/c1-9(2)13(11-4-5-11)14-8-12-10(3)6-7-15-12/h6-7,9,11,13-14H,4-5,8H2,1-3H3
InChIKeyCOKOBVNCSIYHGC-UHFFFAOYSA-N
MW223.38 g/mol
LogP3.58
Rot. Bonds5

About 1-cyclopropyl-2-methyl-N-[(3-methylthiophen-2-yl)methyl]propan-1-amine

1-cyclopropyl-2-methyl-N-[(3-methylthiophen-2-yl)methyl]propan-1-amine (PubChem CID 115712849) has the molecular formula C13H21NS and a molecular weight of 223.38 g/mol. Its IUPAC name is 1-cyclopropyl-2-methyl-N-[(3-methylthiophen-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name1-cyclopropyl-2-methyl-N-[(3-methylthiophen-2-yl)methyl]propan-1-amine
PubChem CID115712849
Molecular FormulaC13H21NS
Molecular Weight223.38 g/mol
Exact Mass223.14
IUPAC Name1-cyclopropyl-2-methyl-N-[(3-methylthiophen-2-yl)methyl]propan-1-amine
SMILESCc1ccsc1CNC(C(C)C)C1CC1
InChIInChI=1S/C13H21NS/c1-9(2)13(11-4-5-11)14-8-12-10(3)6-7-15-12/h6-7,9,11,13-14H,4-5,8H2,1-3H3
InChIKeyCOKOBVNCSIYHGC-UHFFFAOYSA-N
XLogP3.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.38
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-2-N-[(3-methylthiophen-2-yl)methyl]butane-1,2-diamine
CID 106345068
(1R)-1-(4-methylphenyl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 81350040
3-[(3-methylthiophen-2-yl)methylamino]butanenitrile
CID 78953450
N-ethyl-2-[(3-methylthiophen-2-yl)methylamino]propanamide
CID 43400102
3-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-propan-2-ylbutan-1-amine
CID 102904562
1-cyclopropyl-2-methoxy-N-[2-(3-methylthiophen-2-yl)ethyl]ethanamine
CID 115898820
2,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]pentan-3-amine;hydrochloride
CID 115616073
2-[(3-methylthiophen-2-yl)methylamino]-N-phenylpropanamide
CID 112726245
N,N-dimethyl-2-[(3-methylthiophen-2-yl)methylamino]propanamide
CID 43573926
1-(4-fluorophenyl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 43180807
2-cyclopropyl-N-ethyl-1-(3-methylthiophen-2-yl)propan-1-amine
CID 83153909
N-(2-methylbutan-2-yl)-2-[(3-methylthiophen-2-yl)methylamino]propanamide
CID 113221911

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-methyl-N-[(3-methylthiophen-2-yl)methyl]propan-1-amine?
The IUPAC name of 1-cyclopropyl-2-methyl-N-[(3-methylthiophen-2-yl)methyl]propan-1-amine (CID 115712849) is 1-cyclopropyl-2-methyl-N-[(3-methylthiophen-2-yl)methyl]propan-1-amine.
What is the SMILES notation for 1-cyclopropyl-2-methyl-N-[(3-methylthiophen-2-yl)methyl]propan-1-amine?
The canonical SMILES for 1-cyclopropyl-2-methyl-N-[(3-methylthiophen-2-yl)methyl]propan-1-amine is Cc1ccsc1CNC(C(C)C)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-methyl-N-[(3-methylthiophen-2-yl)methyl]propan-1-amine?
The InChIKey is COKOBVNCSIYHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NS/c1-9(2)13(11-4-5-11)14-8-12-10(3)6-7-15-12/h6-7,9,11,13-14H,4-5,8H2,1-3H3.
What are the key properties of 1-cyclopropyl-2-methyl-N-[(3-methylthiophen-2-yl)methyl]propan-1-amine?
1-cyclopropyl-2-methyl-N-[(3-methylthiophen-2-yl)methyl]propan-1-amine has a molecular weight of 223.38 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-methyl-N-[(3-methylthiophen-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 115712849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).