4-N-(5-chloronaphthalen-1-yl)-1-N,1-N-dimethylpentane-1,4-diamine

C17H23ClN2 — CID 164609875

IUPAC4-N-(5-chloronaphthalen-1-yl)-1-N,1-N-dimethylpentane-1,4-diamine
SMILESCC(CCCN(C)C)Nc1cccc2c(Cl)cccc12
InChIInChI=1S/C17H23ClN2/c1-13(7-6-12-20(2)3)19-17-11-5-8-14-15(17)9-4-10-16(14)18/h4-5,8-11,13,19H,6-7,12H2,1-3H3
InChIKeyUNVYXAGXXIHDFA-UHFFFAOYSA-N
MW290.84 g/mol
LogP4.64
Rot. Bonds6

About 4-N-(5-chloronaphthalen-1-yl)-1-N,1-N-dimethylpentane-1,4-diamine

4-N-(5-chloronaphthalen-1-yl)-1-N,1-N-dimethylpentane-1,4-diamine (PubChem CID 164609875) has the molecular formula C17H23ClN2 and a molecular weight of 290.84 g/mol. Its IUPAC name is 4-N-(5-chloronaphthalen-1-yl)-1-N,1-N-dimethylpentane-1,4-diamine.

Molecular Properties

Compound Name4-N-(5-chloronaphthalen-1-yl)-1-N,1-N-dimethylpentane-1,4-diamine
PubChem CID164609875
Molecular FormulaC17H23ClN2
Molecular Weight290.84 g/mol
Exact Mass290.15
IUPAC Name4-N-(5-chloronaphthalen-1-yl)-1-N,1-N-dimethylpentane-1,4-diamine
SMILESCC(CCCN(C)C)Nc1cccc2c(Cl)cccc12
InChIInChI=1S/C17H23ClN2/c1-13(7-6-12-20(2)3)19-17-11-5-8-14-15(17)9-4-10-16(14)18/h4-5,8-11,13,19H,6-7,12H2,1-3H3
InChIKeyUNVYXAGXXIHDFA-UHFFFAOYSA-N
XLogP4.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.84
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-N-(5-chloronaphthalen-1-yl)-1-N,1-N-dimethylpentane-1,4-diamine?
The IUPAC name of 4-N-(5-chloronaphthalen-1-yl)-1-N,1-N-dimethylpentane-1,4-diamine (CID 164609875) is 4-N-(5-chloronaphthalen-1-yl)-1-N,1-N-dimethylpentane-1,4-diamine.
What is the SMILES notation for 4-N-(5-chloronaphthalen-1-yl)-1-N,1-N-dimethylpentane-1,4-diamine?
The canonical SMILES for 4-N-(5-chloronaphthalen-1-yl)-1-N,1-N-dimethylpentane-1,4-diamine is CC(CCCN(C)C)Nc1cccc2c(Cl)cccc12.
What is the InChIKey of 4-N-(5-chloronaphthalen-1-yl)-1-N,1-N-dimethylpentane-1,4-diamine?
The InChIKey is UNVYXAGXXIHDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2/c1-13(7-6-12-20(2)3)19-17-11-5-8-14-15(17)9-4-10-16(14)18/h4-5,8-11,13,19H,6-7,12H2,1-3H3.
What are the key properties of 4-N-(5-chloronaphthalen-1-yl)-1-N,1-N-dimethylpentane-1,4-diamine?
4-N-(5-chloronaphthalen-1-yl)-1-N,1-N-dimethylpentane-1,4-diamine has a molecular weight of 290.84 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-chloronaphthalen-1-yl)-1-N,1-N-dimethylpentane-1,4-diamine is sourced from PubChem (CID 164609875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).