3-[(3-chlorothiophen-2-yl)methyl]-N-propylcycloheptan-1-amine

C15H24ClNS — CID 112749641

IUPAC3-[(3-chlorothiophen-2-yl)methyl]-N-propylcycloheptan-1-amine
SMILESCCCNC1CCCCC(Cc2sccc2Cl)C1
InChIInChI=1S/C15H24ClNS/c1-2-8-17-13-6-4-3-5-12(10-13)11-15-14(16)7-9-18-15/h7,9,12-13,17H,2-6,8,10-11H2,1H3
InChIKeySTMGRIWMGVBPPP-UHFFFAOYSA-N
MW285.88 g/mol
LogP4.89
Rot. Bonds5

About 3-[(3-chlorothiophen-2-yl)methyl]-N-propylcycloheptan-1-amine

3-[(3-chlorothiophen-2-yl)methyl]-N-propylcycloheptan-1-amine (PubChem CID 112749641) has the molecular formula C15H24ClNS and a molecular weight of 285.88 g/mol. Its IUPAC name is 3-[(3-chlorothiophen-2-yl)methyl]-N-propylcycloheptan-1-amine.

Molecular Properties

Compound Name3-[(3-chlorothiophen-2-yl)methyl]-N-propylcycloheptan-1-amine
PubChem CID112749641
Molecular FormulaC15H24ClNS
Molecular Weight285.88 g/mol
Exact Mass285.13
IUPAC Name3-[(3-chlorothiophen-2-yl)methyl]-N-propylcycloheptan-1-amine
SMILESCCCNC1CCCCC(Cc2sccc2Cl)C1
InChIInChI=1S/C15H24ClNS/c1-2-8-17-13-6-4-3-5-12(10-13)11-15-14(16)7-9-18-15/h7,9,12-13,17H,2-6,8,10-11H2,1H3
InChIKeySTMGRIWMGVBPPP-UHFFFAOYSA-N
XLogP4.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.88
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chlorothiophen-2-yl)-N-propylcycloheptan-1-amine
CID 107360797
N-propyl-3-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine
CID 79824744
3-[(5-fluoro-2-methylphenyl)methyl]-N-propylcycloheptan-1-amine
CID 105375525
N-propyl-3-(pyridin-3-ylmethyl)cycloheptan-1-amine
CID 104737007
3-[(1-propan-2-ylpyrazol-3-yl)methyl]-N-propylcycloheptan-1-amine
CID 64801922
3-[(2-bromo-5-methoxyphenyl)methyl]-N-propylcycloheptan-1-amine
CID 65326445
3-[(1-methylpyrazol-3-yl)methyl]-N-propylcyclohexan-1-amine
CID 82870644
3-(propan-2-yloxymethyl)-N-propylcycloheptan-1-amine
CID 79569560
3-(3-chloro-4-methylphenyl)-N-propylcycloheptan-1-amine
CID 107560968
N-[(3-chlorothiophen-2-yl)methyl]cyclopropanamine
CID 80645158
1-N-propylcyclohexane-1,3-diamine
CID 22026573
3-(3-chlorothiophen-2-yl)-N-ethylcyclohexan-1-amine
CID 107360790

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorothiophen-2-yl)methyl]-N-propylcycloheptan-1-amine?
The IUPAC name of 3-[(3-chlorothiophen-2-yl)methyl]-N-propylcycloheptan-1-amine (CID 112749641) is 3-[(3-chlorothiophen-2-yl)methyl]-N-propylcycloheptan-1-amine.
What is the SMILES notation for 3-[(3-chlorothiophen-2-yl)methyl]-N-propylcycloheptan-1-amine?
The canonical SMILES for 3-[(3-chlorothiophen-2-yl)methyl]-N-propylcycloheptan-1-amine is CCCNC1CCCCC(Cc2sccc2Cl)C1.
What is the InChIKey of 3-[(3-chlorothiophen-2-yl)methyl]-N-propylcycloheptan-1-amine?
The InChIKey is STMGRIWMGVBPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNS/c1-2-8-17-13-6-4-3-5-12(10-13)11-15-14(16)7-9-18-15/h7,9,12-13,17H,2-6,8,10-11H2,1H3.
What are the key properties of 3-[(3-chlorothiophen-2-yl)methyl]-N-propylcycloheptan-1-amine?
3-[(3-chlorothiophen-2-yl)methyl]-N-propylcycloheptan-1-amine has a molecular weight of 285.88 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorothiophen-2-yl)methyl]-N-propylcycloheptan-1-amine is sourced from PubChem (CID 112749641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).