N-[[2-[(methylideneamino)methyl]cyclopentyl]methyl]quinolin-8-amine

C17H21N3 — CID 54248022

IUPACN-[[2-[(methylideneamino)methyl]cyclopentyl]methyl]quinolin-8-amine
SMILESC=NCC1CCCC1CNc1cccc2cccnc12
InChIInChI=1S/C17H21N3/c1-18-11-14-6-2-7-15(14)12-20-16-9-3-5-13-8-4-10-19-17(13)16/h3-5,8-10,14-15,20H,1-2,6-7,11-12H2
InChIKeyHGIJSPXDPXNCRJ-UHFFFAOYSA-N
MW267.38 g/mol
LogP3.76
Rot. Bonds5

About N-[[2-[(methylideneamino)methyl]cyclopentyl]methyl]quinolin-8-amine

N-[[2-[(methylideneamino)methyl]cyclopentyl]methyl]quinolin-8-amine (PubChem CID 54248022) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is N-[[2-[(methylideneamino)methyl]cyclopentyl]methyl]quinolin-8-amine.

Molecular Properties

Compound NameN-[[2-[(methylideneamino)methyl]cyclopentyl]methyl]quinolin-8-amine
PubChem CID54248022
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC NameN-[[2-[(methylideneamino)methyl]cyclopentyl]methyl]quinolin-8-amine
SMILESC=NCC1CCCC1CNc1cccc2cccnc12
InChIInChI=1S/C17H21N3/c1-18-11-14-6-2-7-15(14)12-20-16-9-3-5-13-8-4-10-19-17(13)16/h3-5,8-10,14-15,20H,1-2,6-7,11-12H2
InChIKeyHGIJSPXDPXNCRJ-UHFFFAOYSA-N
XLogP3.76
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(piperidin-3-ylmethyl)quinolin-8-amine
CID 80553061
N-[[2-[(dimethylamino)methyl]cyclopentyl]methyl]-6-methoxyquinolin-8-amine
CID 54132845
N-(3,3-dimethylbutyl)quinolin-8-amine
CID 62965994
N-[6-(quinolin-8-ylamino)pyridazin-3-yl]cyclobutanecarboxamide
CID 113050407
N-(pyridin-2-ylmethyl)quinolin-8-amine
CID 20827882
1-cyclobutyl-N-(quinolin-8-ylmethyl)methanamine
CID 43298300
N-(1-cyclopentylethyl)quinolin-8-amine
CID 62631531
N-(3-methoxy-3-methylbutyl)quinolin-8-amine
CID 106675039
N-quinolin-8-ylhydroxylamine
CID 22011433
N-cyclopentyl-N'-quinolin-8-ylpropanediamide
CID 108942283
3-[(2-methylcyclopentyl)methylamino]pyridine-2-carbonitrile
CID 107418642
N-quinolin-8-ylcyclohexanecarboxamide
CID 835933

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(methylideneamino)methyl]cyclopentyl]methyl]quinolin-8-amine?
The IUPAC name of N-[[2-[(methylideneamino)methyl]cyclopentyl]methyl]quinolin-8-amine (CID 54248022) is N-[[2-[(methylideneamino)methyl]cyclopentyl]methyl]quinolin-8-amine.
What is the SMILES notation for N-[[2-[(methylideneamino)methyl]cyclopentyl]methyl]quinolin-8-amine?
The canonical SMILES for N-[[2-[(methylideneamino)methyl]cyclopentyl]methyl]quinolin-8-amine is C=NCC1CCCC1CNc1cccc2cccnc12.
What is the InChIKey of N-[[2-[(methylideneamino)methyl]cyclopentyl]methyl]quinolin-8-amine?
The InChIKey is HGIJSPXDPXNCRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-18-11-14-6-2-7-15(14)12-20-16-9-3-5-13-8-4-10-19-17(13)16/h3-5,8-10,14-15,20H,1-2,6-7,11-12H2.
What are the key properties of N-[[2-[(methylideneamino)methyl]cyclopentyl]methyl]quinolin-8-amine?
N-[[2-[(methylideneamino)methyl]cyclopentyl]methyl]quinolin-8-amine has a molecular weight of 267.38 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(methylideneamino)methyl]cyclopentyl]methyl]quinolin-8-amine is sourced from PubChem (CID 54248022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).