4-N-[3-(4-chlorophenyl)cyclobutyl]cyclohexane-1,4-diamine

C16H23ClN2 — CID 62318692

IUPAC4-N-[3-(4-chlorophenyl)cyclobutyl]cyclohexane-1,4-diamine
SMILESNC1CCC(NC2CC(c3ccc(Cl)cc3)C2)CC1
InChIInChI=1S/C16H23ClN2/c17-13-3-1-11(2-4-13)12-9-16(10-12)19-15-7-5-14(18)6-8-15/h1-4,12,14-16,19H,5-10,18H2
InChIKeyFILNELQKMUELMC-UHFFFAOYSA-N
MW278.83 g/mol
LogP3.45
Rot. Bonds3

About 4-N-[3-(4-chlorophenyl)cyclobutyl]cyclohexane-1,4-diamine

4-N-[3-(4-chlorophenyl)cyclobutyl]cyclohexane-1,4-diamine (PubChem CID 62318692) has the molecular formula C16H23ClN2 and a molecular weight of 278.83 g/mol. Its IUPAC name is 4-N-[3-(4-chlorophenyl)cyclobutyl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[3-(4-chlorophenyl)cyclobutyl]cyclohexane-1,4-diamine
PubChem CID62318692
Molecular FormulaC16H23ClN2
Molecular Weight278.83 g/mol
Exact Mass278.15
IUPAC Name4-N-[3-(4-chlorophenyl)cyclobutyl]cyclohexane-1,4-diamine
SMILESNC1CCC(NC2CC(c3ccc(Cl)cc3)C2)CC1
InChIInChI=1S/C16H23ClN2/c17-13-3-1-11(2-4-13)12-9-16(10-12)19-15-7-5-14(18)6-8-15/h1-4,12,14-16,19H,5-10,18H2
InChIKeyFILNELQKMUELMC-UHFFFAOYSA-N
XLogP3.45
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.83
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-N-[3-(4-chlorophenyl)cyclobutyl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-[3-(4-chlorophenyl)cyclobutyl]cyclohexane-1,4-diamine (CID 62318692) is 4-N-[3-(4-chlorophenyl)cyclobutyl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[3-(4-chlorophenyl)cyclobutyl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[3-(4-chlorophenyl)cyclobutyl]cyclohexane-1,4-diamine is NC1CCC(NC2CC(c3ccc(Cl)cc3)C2)CC1.
What is the InChIKey of 4-N-[3-(4-chlorophenyl)cyclobutyl]cyclohexane-1,4-diamine?
The InChIKey is FILNELQKMUELMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2/c17-13-3-1-11(2-4-13)12-9-16(10-12)19-15-7-5-14(18)6-8-15/h1-4,12,14-16,19H,5-10,18H2.
What are the key properties of 4-N-[3-(4-chlorophenyl)cyclobutyl]cyclohexane-1,4-diamine?
4-N-[3-(4-chlorophenyl)cyclobutyl]cyclohexane-1,4-diamine has a molecular weight of 278.83 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-(4-chlorophenyl)cyclobutyl]cyclohexane-1,4-diamine is sourced from PubChem (CID 62318692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).