1-(3-bicyclo[3.1.0]hexanyl)-N-methyl-3-thiophen-2-ylpropan-1-amine

C14H21NS — CID 115860737

IUPAC1-(3-bicyclo[3.1.0]hexanyl)-N-methyl-3-thiophen-2-ylpropan-1-amine
SMILESCNC(CCc1cccs1)C1CC2CC2C1
InChIInChI=1S/C14H21NS/c1-15-14(5-4-13-3-2-6-16-13)12-8-10-7-11(10)9-12/h2-3,6,10-12,14-15H,4-5,7-9H2,1H3
InChIKeyOMSSMECBDASHBS-UHFFFAOYSA-N
MW235.40 g/mol
LogP3.31
Rot. Bonds5

About 1-(3-bicyclo[3.1.0]hexanyl)-N-methyl-3-thiophen-2-ylpropan-1-amine

1-(3-bicyclo[3.1.0]hexanyl)-N-methyl-3-thiophen-2-ylpropan-1-amine (PubChem CID 115860737) has the molecular formula C14H21NS and a molecular weight of 235.40 g/mol. Its IUPAC name is 1-(3-bicyclo[3.1.0]hexanyl)-N-methyl-3-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound Name1-(3-bicyclo[3.1.0]hexanyl)-N-methyl-3-thiophen-2-ylpropan-1-amine
PubChem CID115860737
Molecular FormulaC14H21NS
Molecular Weight235.40 g/mol
Exact Mass235.14
IUPAC Name1-(3-bicyclo[3.1.0]hexanyl)-N-methyl-3-thiophen-2-ylpropan-1-amine
SMILESCNC(CCc1cccs1)C1CC2CC2C1
InChIInChI=1S/C14H21NS/c1-15-14(5-4-13-3-2-6-16-13)12-8-10-7-11(10)9-12/h2-3,6,10-12,14-15H,4-5,7-9H2,1H3
InChIKeyOMSSMECBDASHBS-UHFFFAOYSA-N
XLogP3.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.40
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-bicyclo[3.1.0]hexanyl)-N-methyl-3-thiophen-2-ylpropan-1-amine with MolForge

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Related Compounds

N-methyl-1-(4-methylcyclohexyl)-3-thiophen-2-ylpropan-1-amine
CID 55236906
N-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)-3-thiophen-2-ylpropan-1-amine
CID 65404001
1-(3,3-difluorocyclopentyl)-N-methyl-3-thiophen-2-ylpropan-1-amine
CID 114216221
N-methyl-1-(2-methylcyclopentyl)-3-thiophen-2-ylpropan-1-amine
CID 107188935
1-(3,4-dimethylcyclohexyl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 105154540
(2S)-N-methyl-4-thiophen-2-ylbutan-2-amine
CID 42077642
(1-cyclohexyl-3-thiophen-2-ylpropyl)hydrazine
CID 105201759
1-cyclobutyl-N-methyl-4-thiophen-2-ylbutan-2-amine
CID 103168696
N-methyl-1-(2-phenylcyclopropyl)-4-thiophen-2-ylbutan-1-amine
CID 105189048
2-cyclopentyl-N-propyl-4-thiophen-2-ylbutan-1-amine
CID 112569967
N,4-dimethyl-6-thiophen-2-ylhexan-2-amine
CID 64720964
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 105170350

Frequently Asked Questions

What is the IUPAC name of 1-(3-bicyclo[3.1.0]hexanyl)-N-methyl-3-thiophen-2-ylpropan-1-amine?
The IUPAC name of 1-(3-bicyclo[3.1.0]hexanyl)-N-methyl-3-thiophen-2-ylpropan-1-amine (CID 115860737) is 1-(3-bicyclo[3.1.0]hexanyl)-N-methyl-3-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for 1-(3-bicyclo[3.1.0]hexanyl)-N-methyl-3-thiophen-2-ylpropan-1-amine?
The canonical SMILES for 1-(3-bicyclo[3.1.0]hexanyl)-N-methyl-3-thiophen-2-ylpropan-1-amine is CNC(CCc1cccs1)C1CC2CC2C1.
What is the InChIKey of 1-(3-bicyclo[3.1.0]hexanyl)-N-methyl-3-thiophen-2-ylpropan-1-amine?
The InChIKey is OMSSMECBDASHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NS/c1-15-14(5-4-13-3-2-6-16-13)12-8-10-7-11(10)9-12/h2-3,6,10-12,14-15H,4-5,7-9H2,1H3.
What are the key properties of 1-(3-bicyclo[3.1.0]hexanyl)-N-methyl-3-thiophen-2-ylpropan-1-amine?
1-(3-bicyclo[3.1.0]hexanyl)-N-methyl-3-thiophen-2-ylpropan-1-amine has a molecular weight of 235.40 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bicyclo[3.1.0]hexanyl)-N-methyl-3-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 115860737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).