1-cyclopropyl-N-[(1-ethylcyclopropyl)methyl]-1-thiophen-2-ylmethanamine

C14H21NS — CID 115898683

IUPAC1-cyclopropyl-N-[(1-ethylcyclopropyl)methyl]-1-thiophen-2-ylmethanamine
SMILESCCC1(CNC(c2cccs2)C2CC2)CC1
InChIInChI=1S/C14H21NS/c1-2-14(7-8-14)10-15-13(11-5-6-11)12-4-3-9-16-12/h3-4,9,11,13,15H,2,5-8,10H2,1H3
InChIKeyBAGZWVGUIGFGOR-UHFFFAOYSA-N
MW235.40 g/mol
LogP3.98
Rot. Bonds6

About 1-cyclopropyl-N-[(1-ethylcyclopropyl)methyl]-1-thiophen-2-ylmethanamine

1-cyclopropyl-N-[(1-ethylcyclopropyl)methyl]-1-thiophen-2-ylmethanamine (PubChem CID 115898683) has the molecular formula C14H21NS and a molecular weight of 235.40 g/mol. Its IUPAC name is 1-cyclopropyl-N-[(1-ethylcyclopropyl)methyl]-1-thiophen-2-ylmethanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-[(1-ethylcyclopropyl)methyl]-1-thiophen-2-ylmethanamine
PubChem CID115898683
Molecular FormulaC14H21NS
Molecular Weight235.40 g/mol
Exact Mass235.14
IUPAC Name1-cyclopropyl-N-[(1-ethylcyclopropyl)methyl]-1-thiophen-2-ylmethanamine
SMILESCCC1(CNC(c2cccs2)C2CC2)CC1
InChIInChI=1S/C14H21NS/c1-2-14(7-8-14)10-15-13(11-5-6-11)12-4-3-9-16-12/h3-4,9,11,13,15H,2,5-8,10H2,1H3
InChIKeyBAGZWVGUIGFGOR-UHFFFAOYSA-N
XLogP3.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.40
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-cyclopropyl-N-[(1-ethylcyclopropyl)methyl]-1-thiophen-2-ylmethanamine with MolForge

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Related Compounds

N-[cyclopropyl(thiophen-2-yl)methyl]propan-1-amine
CID 43495964
1-cyclopropyl-N-[(4-methyloxan-4-yl)methyl]-1-thiophen-2-ylmethanamine
CID 103911347
1-cyclopropyl-N-[(1-ethylcyclopropyl)methyl]-1-(4-methylphenyl)methanamine
CID 114099572
N-[(4-ethylcyclohexyl)-thiophen-2-ylmethyl]propan-1-amine
CID 64776035
3-[[[cyclopropyl(thiophen-2-yl)methyl]amino]methyl]pentan-3-ol
CID 65108397
N-[cyclopropyl(thiophen-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 54983030
N-[(4-tert-butylcyclohexyl)-thiophen-2-ylmethyl]propan-1-amine
CID 63501793
methyl 2-[[cyclopropyl(thiophen-2-yl)methyl]amino]acetate
CID 60714004
N-[cyclopropyl(thiophen-2-yl)methyl]-2-methyl-3-methylsulfanylpropan-1-amine
CID 63981496
N-[cyclopentyl(thiophen-2-yl)methyl]-2,2-dimethoxyethanamine
CID 60816179
N-[cyclopropyl(thiophen-2-yl)methyl]propan-2-amine
CID 60713978
1-cyclopentyl-N-[(3-methoxyoxolan-3-yl)methyl]-1-thiophen-2-ylmethanamine
CID 104705919

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[(1-ethylcyclopropyl)methyl]-1-thiophen-2-ylmethanamine?
The IUPAC name of 1-cyclopropyl-N-[(1-ethylcyclopropyl)methyl]-1-thiophen-2-ylmethanamine (CID 115898683) is 1-cyclopropyl-N-[(1-ethylcyclopropyl)methyl]-1-thiophen-2-ylmethanamine.
What is the SMILES notation for 1-cyclopropyl-N-[(1-ethylcyclopropyl)methyl]-1-thiophen-2-ylmethanamine?
The canonical SMILES for 1-cyclopropyl-N-[(1-ethylcyclopropyl)methyl]-1-thiophen-2-ylmethanamine is CCC1(CNC(c2cccs2)C2CC2)CC1.
What is the InChIKey of 1-cyclopropyl-N-[(1-ethylcyclopropyl)methyl]-1-thiophen-2-ylmethanamine?
The InChIKey is BAGZWVGUIGFGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NS/c1-2-14(7-8-14)10-15-13(11-5-6-11)12-4-3-9-16-12/h3-4,9,11,13,15H,2,5-8,10H2,1H3.
What are the key properties of 1-cyclopropyl-N-[(1-ethylcyclopropyl)methyl]-1-thiophen-2-ylmethanamine?
1-cyclopropyl-N-[(1-ethylcyclopropyl)methyl]-1-thiophen-2-ylmethanamine has a molecular weight of 235.40 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[(1-ethylcyclopropyl)methyl]-1-thiophen-2-ylmethanamine is sourced from PubChem (CID 115898683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).