N-(1-methylazepan-4-yl)quinolin-5-amine

C16H21N3 — CID 65071582

IUPACN-(1-methylazepan-4-yl)quinolin-5-amine
SMILESCN1CCCC(Nc2cccc3ncccc23)CC1
InChIInChI=1S/C16H21N3/c1-19-11-4-5-13(9-12-19)18-16-8-2-7-15-14(16)6-3-10-17-15/h2-3,6-8,10,13,18H,4-5,9,11-12H2,1H3
InChIKeyKKHXUMGSNMPJMG-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.13
Rot. Bonds2

About N-(1-methylazepan-4-yl)quinolin-5-amine

N-(1-methylazepan-4-yl)quinolin-5-amine (PubChem CID 65071582) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is N-(1-methylazepan-4-yl)quinolin-5-amine.

Molecular Properties

Compound NameN-(1-methylazepan-4-yl)quinolin-5-amine
PubChem CID65071582
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC NameN-(1-methylazepan-4-yl)quinolin-5-amine
SMILESCN1CCCC(Nc2cccc3ncccc23)CC1
InChIInChI=1S/C16H21N3/c1-19-11-4-5-13(9-12-19)18-16-8-2-7-15-14(16)6-3-10-17-15/h2-3,6-8,10,13,18H,4-5,9,11-12H2,1H3
InChIKeyKKHXUMGSNMPJMG-UHFFFAOYSA-N
XLogP3.13
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylazepan-4-yl)quinolin-5-amine?
The IUPAC name of N-(1-methylazepan-4-yl)quinolin-5-amine (CID 65071582) is N-(1-methylazepan-4-yl)quinolin-5-amine.
What is the SMILES notation for N-(1-methylazepan-4-yl)quinolin-5-amine?
The canonical SMILES for N-(1-methylazepan-4-yl)quinolin-5-amine is CN1CCCC(Nc2cccc3ncccc23)CC1.
What is the InChIKey of N-(1-methylazepan-4-yl)quinolin-5-amine?
The InChIKey is KKHXUMGSNMPJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-19-11-4-5-13(9-12-19)18-16-8-2-7-15-14(16)6-3-10-17-15/h2-3,6-8,10,13,18H,4-5,9,11-12H2,1H3.
What are the key properties of N-(1-methylazepan-4-yl)quinolin-5-amine?
N-(1-methylazepan-4-yl)quinolin-5-amine has a molecular weight of 255.37 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylazepan-4-yl)quinolin-5-amine is sourced from PubChem (CID 65071582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).