N-(1-thiophen-2-ylpropyl)cyclohex-2-en-1-amine

C13H19NS — CID 115893597

IUPACN-(1-thiophen-2-ylpropyl)cyclohex-2-en-1-amine
SMILESCCC(NC1C=CCCC1)c1cccs1
InChIInChI=1S/C13H19NS/c1-2-12(13-9-6-10-15-13)14-11-7-4-3-5-8-11/h4,6-7,9-12,14H,2-3,5,8H2,1H3
InChIKeyXOCSWHRLWMJBJG-UHFFFAOYSA-N
MW221.37 g/mol
LogP3.90
Rot. Bonds4

About N-(1-thiophen-2-ylpropyl)cyclohex-2-en-1-amine

N-(1-thiophen-2-ylpropyl)cyclohex-2-en-1-amine (PubChem CID 115893597) has the molecular formula C13H19NS and a molecular weight of 221.37 g/mol. Its IUPAC name is N-(1-thiophen-2-ylpropyl)cyclohex-2-en-1-amine.

Molecular Properties

Compound NameN-(1-thiophen-2-ylpropyl)cyclohex-2-en-1-amine
PubChem CID115893597
Molecular FormulaC13H19NS
Molecular Weight221.37 g/mol
Exact Mass221.12
IUPAC NameN-(1-thiophen-2-ylpropyl)cyclohex-2-en-1-amine
SMILESCCC(NC1C=CCCC1)c1cccs1
InChIInChI=1S/C13H19NS/c1-2-12(13-9-6-10-15-13)14-11-7-4-3-5-8-11/h4,6-7,9-12,14H,2-3,5,8H2,1H3
InChIKeyXOCSWHRLWMJBJG-UHFFFAOYSA-N
XLogP3.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-tert-butyl-N-(1-thiophen-2-ylpropyl)cyclohexan-1-amine
CID 43673863
N-(1-thiophen-2-ylpropyl)spiro[4.5]decan-8-amine
CID 114817555
N-[1-(1-methylpyrazol-4-yl)propyl]cyclohex-2-en-1-amine
CID 115893687
3,4-dimethyl-N-(1-thiophen-2-ylpropyl)cyclohexan-1-amine
CID 64744444
2-(1-thiophen-2-ylpropylamino)cycloheptane-1-carbonitrile
CID 55114712
N-[cyclopentyl(thiophen-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 43740511
N-(1-thiophen-2-ylpropyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43110218
2,4-dimethyl-N-(1-thiophen-2-ylpropyl)cyclohexan-1-amine
CID 63995673
1-methyl-N-(1-thiophen-2-ylpropyl)pyrrolidin-3-amine
CID 61462269
[1-[(1-thiophen-2-ylpropylamino)methyl]cyclopentyl]methanol
CID 115358763
N-[1-(3-bromothiophen-2-yl)ethyl]cyclohex-2-en-1-amine
CID 115893699
N-[cyclopropyl(thiophen-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 54983030

Frequently Asked Questions

What is the IUPAC name of N-(1-thiophen-2-ylpropyl)cyclohex-2-en-1-amine?
The IUPAC name of N-(1-thiophen-2-ylpropyl)cyclohex-2-en-1-amine (CID 115893597) is N-(1-thiophen-2-ylpropyl)cyclohex-2-en-1-amine.
What is the SMILES notation for N-(1-thiophen-2-ylpropyl)cyclohex-2-en-1-amine?
The canonical SMILES for N-(1-thiophen-2-ylpropyl)cyclohex-2-en-1-amine is CCC(NC1C=CCCC1)c1cccs1.
What is the InChIKey of N-(1-thiophen-2-ylpropyl)cyclohex-2-en-1-amine?
The InChIKey is XOCSWHRLWMJBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NS/c1-2-12(13-9-6-10-15-13)14-11-7-4-3-5-8-11/h4,6-7,9-12,14H,2-3,5,8H2,1H3.
What are the key properties of N-(1-thiophen-2-ylpropyl)cyclohex-2-en-1-amine?
N-(1-thiophen-2-ylpropyl)cyclohex-2-en-1-amine has a molecular weight of 221.37 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-thiophen-2-ylpropyl)cyclohex-2-en-1-amine is sourced from PubChem (CID 115893597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).