4-N-(6-chloronaphthalen-1-yl)-1-N,1-N-diethylpentane-1,4-diamine

C19H27ClN2 — CID 568023

IUPAC4-N-(6-chloronaphthalen-1-yl)-1-N,1-N-diethylpentane-1,4-diamine
SMILESCCN(CC)CCCC(C)Nc1cccc2cc(Cl)ccc12
InChIInChI=1S/C19H27ClN2/c1-4-22(5-2)13-7-8-15(3)21-19-10-6-9-16-14-17(20)11-12-18(16)19/h6,9-12,14-15,21H,4-5,7-8,13H2,1-3H3
InChIKeyGANULVOPMNCDQQ-UHFFFAOYSA-N
MW318.89 g/mol
LogP5.42
Rot. Bonds8

About 4-N-(6-chloronaphthalen-1-yl)-1-N,1-N-diethylpentane-1,4-diamine

4-N-(6-chloronaphthalen-1-yl)-1-N,1-N-diethylpentane-1,4-diamine (PubChem CID 568023) has the molecular formula C19H27ClN2 and a molecular weight of 318.89 g/mol. Its IUPAC name is 4-N-(6-chloronaphthalen-1-yl)-1-N,1-N-diethylpentane-1,4-diamine.

Molecular Properties

Compound Name4-N-(6-chloronaphthalen-1-yl)-1-N,1-N-diethylpentane-1,4-diamine
PubChem CID568023
Molecular FormulaC19H27ClN2
Molecular Weight318.89 g/mol
Exact Mass318.19
IUPAC Name4-N-(6-chloronaphthalen-1-yl)-1-N,1-N-diethylpentane-1,4-diamine
SMILESCCN(CC)CCCC(C)Nc1cccc2cc(Cl)ccc12
InChIInChI=1S/C19H27ClN2/c1-4-22(5-2)13-7-8-15(3)21-19-10-6-9-16-14-17(20)11-12-18(16)19/h6,9-12,14-15,21H,4-5,7-8,13H2,1-3H3
InChIKeyGANULVOPMNCDQQ-UHFFFAOYSA-N
XLogP5.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.89
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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US9957261, Example 48
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Frequently Asked Questions

What is the IUPAC name of 4-N-(6-chloronaphthalen-1-yl)-1-N,1-N-diethylpentane-1,4-diamine?
The IUPAC name of 4-N-(6-chloronaphthalen-1-yl)-1-N,1-N-diethylpentane-1,4-diamine (CID 568023) is 4-N-(6-chloronaphthalen-1-yl)-1-N,1-N-diethylpentane-1,4-diamine.
What is the SMILES notation for 4-N-(6-chloronaphthalen-1-yl)-1-N,1-N-diethylpentane-1,4-diamine?
The canonical SMILES for 4-N-(6-chloronaphthalen-1-yl)-1-N,1-N-diethylpentane-1,4-diamine is CCN(CC)CCCC(C)Nc1cccc2cc(Cl)ccc12.
What is the InChIKey of 4-N-(6-chloronaphthalen-1-yl)-1-N,1-N-diethylpentane-1,4-diamine?
The InChIKey is GANULVOPMNCDQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN2/c1-4-22(5-2)13-7-8-15(3)21-19-10-6-9-16-14-17(20)11-12-18(16)19/h6,9-12,14-15,21H,4-5,7-8,13H2,1-3H3.
What are the key properties of 4-N-(6-chloronaphthalen-1-yl)-1-N,1-N-diethylpentane-1,4-diamine?
4-N-(6-chloronaphthalen-1-yl)-1-N,1-N-diethylpentane-1,4-diamine has a molecular weight of 318.89 g/mol, XLogP of 5.42, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(6-chloronaphthalen-1-yl)-1-N,1-N-diethylpentane-1,4-diamine is sourced from PubChem (CID 568023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).