N-(3-methylcyclopentyl)-1-quinolin-8-ylethane-1,2-diamine

C17H23N3 — CID 114544546

IUPACN-(3-methylcyclopentyl)-1-quinolin-8-ylethane-1,2-diamine
SMILESCC1CCC(NC(CN)c2cccc3cccnc23)C1
InChIInChI=1S/C17H23N3/c1-12-7-8-14(10-12)20-16(11-18)15-6-2-4-13-5-3-9-19-17(13)15/h2-6,9,12,14,16,20H,7-8,10-11,18H2,1H3
InChIKeyNJXSOPGPTWOXRA-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.01
Rot. Bonds4

About N-(3-methylcyclopentyl)-1-quinolin-8-ylethane-1,2-diamine

N-(3-methylcyclopentyl)-1-quinolin-8-ylethane-1,2-diamine (PubChem CID 114544546) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-(3-methylcyclopentyl)-1-quinolin-8-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-(3-methylcyclopentyl)-1-quinolin-8-ylethane-1,2-diamine
PubChem CID114544546
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC NameN-(3-methylcyclopentyl)-1-quinolin-8-ylethane-1,2-diamine
SMILESCC1CCC(NC(CN)c2cccc3cccnc23)C1
InChIInChI=1S/C17H23N3/c1-12-7-8-14(10-12)20-16(11-18)15-6-2-4-13-5-3-9-19-17(13)15/h2-6,9,12,14,16,20H,7-8,10-11,18H2,1H3
InChIKeyNJXSOPGPTWOXRA-UHFFFAOYSA-N
XLogP3.01
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylcyclopentyl)-1-quinolin-8-ylethane-1,2-diamine?
The IUPAC name of N-(3-methylcyclopentyl)-1-quinolin-8-ylethane-1,2-diamine (CID 114544546) is N-(3-methylcyclopentyl)-1-quinolin-8-ylethane-1,2-diamine.
What is the SMILES notation for N-(3-methylcyclopentyl)-1-quinolin-8-ylethane-1,2-diamine?
The canonical SMILES for N-(3-methylcyclopentyl)-1-quinolin-8-ylethane-1,2-diamine is CC1CCC(NC(CN)c2cccc3cccnc23)C1.
What is the InChIKey of N-(3-methylcyclopentyl)-1-quinolin-8-ylethane-1,2-diamine?
The InChIKey is NJXSOPGPTWOXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-12-7-8-14(10-12)20-16(11-18)15-6-2-4-13-5-3-9-19-17(13)15/h2-6,9,12,14,16,20H,7-8,10-11,18H2,1H3.
What are the key properties of N-(3-methylcyclopentyl)-1-quinolin-8-ylethane-1,2-diamine?
N-(3-methylcyclopentyl)-1-quinolin-8-ylethane-1,2-diamine has a molecular weight of 269.39 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylcyclopentyl)-1-quinolin-8-ylethane-1,2-diamine is sourced from PubChem (CID 114544546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).