N-(1-cyclopenta-1,3-dien-1-ylethyl)quinolin-5-amine

C16H16N2 — CID 139238393

IUPACN-(1-cyclopenta-1,3-dien-1-ylethyl)quinolin-5-amine
SMILESCC(Nc1cccc2ncccc12)C1=CC=CC1
InChIInChI=1S/C16H16N2/c1-12(13-6-2-3-7-13)18-16-10-4-9-15-14(16)8-5-11-17-15/h2-6,8-12,18H,7H2,1H3
InChIKeyDBONAVSJRWOPNP-UHFFFAOYSA-N
MW236.32 g/mol
LogP3.92
Rot. Bonds3

About N-(1-cyclopenta-1,3-dien-1-ylethyl)quinolin-5-amine

N-(1-cyclopenta-1,3-dien-1-ylethyl)quinolin-5-amine (PubChem CID 139238393) has the molecular formula C16H16N2 and a molecular weight of 236.32 g/mol. Its IUPAC name is N-(1-cyclopenta-1,3-dien-1-ylethyl)quinolin-5-amine.

Molecular Properties

Compound NameN-(1-cyclopenta-1,3-dien-1-ylethyl)quinolin-5-amine
PubChem CID139238393
Molecular FormulaC16H16N2
Molecular Weight236.32 g/mol
Exact Mass236.13
IUPAC NameN-(1-cyclopenta-1,3-dien-1-ylethyl)quinolin-5-amine
SMILESCC(Nc1cccc2ncccc12)C1=CC=CC1
InChIInChI=1S/C16H16N2/c1-12(13-6-2-3-7-13)18-16-10-4-9-15-14(16)8-5-11-17-15/h2-6,8-12,18H,7H2,1H3
InChIKeyDBONAVSJRWOPNP-UHFFFAOYSA-N
XLogP3.92
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopenta-1,3-dien-1-ylethyl)quinolin-5-amine?
The IUPAC name of N-(1-cyclopenta-1,3-dien-1-ylethyl)quinolin-5-amine (CID 139238393) is N-(1-cyclopenta-1,3-dien-1-ylethyl)quinolin-5-amine.
What is the SMILES notation for N-(1-cyclopenta-1,3-dien-1-ylethyl)quinolin-5-amine?
The canonical SMILES for N-(1-cyclopenta-1,3-dien-1-ylethyl)quinolin-5-amine is CC(Nc1cccc2ncccc12)C1=CC=CC1.
What is the InChIKey of N-(1-cyclopenta-1,3-dien-1-ylethyl)quinolin-5-amine?
The InChIKey is DBONAVSJRWOPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2/c1-12(13-6-2-3-7-13)18-16-10-4-9-15-14(16)8-5-11-17-15/h2-6,8-12,18H,7H2,1H3.
What are the key properties of N-(1-cyclopenta-1,3-dien-1-ylethyl)quinolin-5-amine?
N-(1-cyclopenta-1,3-dien-1-ylethyl)quinolin-5-amine has a molecular weight of 236.32 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopenta-1,3-dien-1-ylethyl)quinolin-5-amine is sourced from PubChem (CID 139238393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).