N-(3-chloropropyl)-N-[(5-chlorothiophen-2-yl)methyl]cyclobutanamine

C12H17Cl2NS — CID 102860560

IUPACN-(3-chloropropyl)-N-[(5-chlorothiophen-2-yl)methyl]cyclobutanamine
SMILESClCCCN(Cc1ccc(Cl)s1)C1CCC1
InChIInChI=1S/C12H17Cl2NS/c13-7-2-8-15(10-3-1-4-10)9-11-5-6-12(14)16-11/h5-6,10H,1-4,7-9H2
InChIKeySNLBZQUNFWVYFZ-UHFFFAOYSA-N
MW278.25 g/mol
LogP4.38
Rot. Bonds6

About N-(3-chloropropyl)-N-[(5-chlorothiophen-2-yl)methyl]cyclobutanamine

N-(3-chloropropyl)-N-[(5-chlorothiophen-2-yl)methyl]cyclobutanamine (PubChem CID 102860560) has the molecular formula C12H17Cl2NS and a molecular weight of 278.25 g/mol. Its IUPAC name is N-(3-chloropropyl)-N-[(5-chlorothiophen-2-yl)methyl]cyclobutanamine.

Molecular Properties

Compound NameN-(3-chloropropyl)-N-[(5-chlorothiophen-2-yl)methyl]cyclobutanamine
PubChem CID102860560
Molecular FormulaC12H17Cl2NS
Molecular Weight278.25 g/mol
Exact Mass277.05
IUPAC NameN-(3-chloropropyl)-N-[(5-chlorothiophen-2-yl)methyl]cyclobutanamine
SMILESClCCCN(Cc1ccc(Cl)s1)C1CCC1
InChIInChI=1S/C12H17Cl2NS/c13-7-2-8-15(10-3-1-4-10)9-11-5-6-12(14)16-11/h5-6,10H,1-4,7-9H2
InChIKeySNLBZQUNFWVYFZ-UHFFFAOYSA-N
XLogP4.38
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.25
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloropropyl)-N-[(5-chlorothiophen-2-yl)methyl]cyclobutanamine?
The IUPAC name of N-(3-chloropropyl)-N-[(5-chlorothiophen-2-yl)methyl]cyclobutanamine (CID 102860560) is N-(3-chloropropyl)-N-[(5-chlorothiophen-2-yl)methyl]cyclobutanamine.
What is the SMILES notation for N-(3-chloropropyl)-N-[(5-chlorothiophen-2-yl)methyl]cyclobutanamine?
The canonical SMILES for N-(3-chloropropyl)-N-[(5-chlorothiophen-2-yl)methyl]cyclobutanamine is ClCCCN(Cc1ccc(Cl)s1)C1CCC1.
What is the InChIKey of N-(3-chloropropyl)-N-[(5-chlorothiophen-2-yl)methyl]cyclobutanamine?
The InChIKey is SNLBZQUNFWVYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2NS/c13-7-2-8-15(10-3-1-4-10)9-11-5-6-12(14)16-11/h5-6,10H,1-4,7-9H2.
What are the key properties of N-(3-chloropropyl)-N-[(5-chlorothiophen-2-yl)methyl]cyclobutanamine?
N-(3-chloropropyl)-N-[(5-chlorothiophen-2-yl)methyl]cyclobutanamine has a molecular weight of 278.25 g/mol, XLogP of 4.38, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropropyl)-N-[(5-chlorothiophen-2-yl)methyl]cyclobutanamine is sourced from PubChem (CID 102860560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).