2-N-cyclopentyl-1-N,2-N-dimethyl-3-naphthalen-2-ylbenzene-1,2-diamine

C23H26N2 — CID 141137169

IUPAC2-N-cyclopentyl-1-N,2-N-dimethyl-3-naphthalen-2-ylbenzene-1,2-diamine
SMILESCNc1cccc(-c2ccc3ccccc3c2)c1N(C)C1CCCC1
InChIInChI=1S/C23H26N2/c1-24-22-13-7-12-21(23(22)25(2)20-10-5-6-11-20)19-15-14-17-8-3-4-9-18(17)16-19/h3-4,7-9,12-16,20,24H,5-6,10-11H2,1-2H3
InChIKeyNFKSIUPLSYUCKH-UHFFFAOYSA-N
MW330.48 g/mol
LogP5.93
Rot. Bonds4

About 2-N-cyclopentyl-1-N,2-N-dimethyl-3-naphthalen-2-ylbenzene-1,2-diamine

2-N-cyclopentyl-1-N,2-N-dimethyl-3-naphthalen-2-ylbenzene-1,2-diamine (PubChem CID 141137169) has the molecular formula C23H26N2 and a molecular weight of 330.48 g/mol. Its IUPAC name is 2-N-cyclopentyl-1-N,2-N-dimethyl-3-naphthalen-2-ylbenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-cyclopentyl-1-N,2-N-dimethyl-3-naphthalen-2-ylbenzene-1,2-diamine
PubChem CID141137169
Molecular FormulaC23H26N2
Molecular Weight330.48 g/mol
Exact Mass330.21
IUPAC Name2-N-cyclopentyl-1-N,2-N-dimethyl-3-naphthalen-2-ylbenzene-1,2-diamine
SMILESCNc1cccc(-c2ccc3ccccc3c2)c1N(C)C1CCCC1
InChIInChI=1S/C23H26N2/c1-24-22-13-7-12-21(23(22)25(2)20-10-5-6-11-20)19-15-14-17-8-3-4-9-18(17)16-19/h3-4,7-9,12-16,20,24H,5-6,10-11H2,1-2H3
InChIKeyNFKSIUPLSYUCKH-UHFFFAOYSA-N
XLogP5.93
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.48
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopentyl-1-N,2-N-dimethyl-3-naphthalen-2-ylbenzene-1,2-diamine?
The IUPAC name of 2-N-cyclopentyl-1-N,2-N-dimethyl-3-naphthalen-2-ylbenzene-1,2-diamine (CID 141137169) is 2-N-cyclopentyl-1-N,2-N-dimethyl-3-naphthalen-2-ylbenzene-1,2-diamine.
What is the SMILES notation for 2-N-cyclopentyl-1-N,2-N-dimethyl-3-naphthalen-2-ylbenzene-1,2-diamine?
The canonical SMILES for 2-N-cyclopentyl-1-N,2-N-dimethyl-3-naphthalen-2-ylbenzene-1,2-diamine is CNc1cccc(-c2ccc3ccccc3c2)c1N(C)C1CCCC1.
What is the InChIKey of 2-N-cyclopentyl-1-N,2-N-dimethyl-3-naphthalen-2-ylbenzene-1,2-diamine?
The InChIKey is NFKSIUPLSYUCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2/c1-24-22-13-7-12-21(23(22)25(2)20-10-5-6-11-20)19-15-14-17-8-3-4-9-18(17)16-19/h3-4,7-9,12-16,20,24H,5-6,10-11H2,1-2H3.
What are the key properties of 2-N-cyclopentyl-1-N,2-N-dimethyl-3-naphthalen-2-ylbenzene-1,2-diamine?
2-N-cyclopentyl-1-N,2-N-dimethyl-3-naphthalen-2-ylbenzene-1,2-diamine has a molecular weight of 330.48 g/mol, XLogP of 5.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopentyl-1-N,2-N-dimethyl-3-naphthalen-2-ylbenzene-1,2-diamine is sourced from PubChem (CID 141137169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).