1-quinolin-8-ylcycloheptan-1-amine

C16H20N2 — CID 81216592

IUPAC1-quinolin-8-ylcycloheptan-1-amine
SMILESNC1(c2cccc3cccnc23)CCCCCC1
InChIInChI=1S/C16H20N2/c17-16(10-3-1-2-4-11-16)14-9-5-7-13-8-6-12-18-15(13)14/h5-9,12H,1-4,10-11,17H2
InChIKeyXPBGTDJPIZBVTP-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.74
Rot. Bonds1

About 1-quinolin-8-ylcycloheptan-1-amine

1-quinolin-8-ylcycloheptan-1-amine (PubChem CID 81216592) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-quinolin-8-ylcycloheptan-1-amine.

Molecular Properties

Compound Name1-quinolin-8-ylcycloheptan-1-amine
PubChem CID81216592
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name1-quinolin-8-ylcycloheptan-1-amine
SMILESNC1(c2cccc3cccnc23)CCCCCC1
InChIInChI=1S/C16H20N2/c17-16(10-3-1-2-4-11-16)14-9-5-7-13-8-6-12-18-15(13)14/h5-9,12H,1-4,10-11,17H2
InChIKeyXPBGTDJPIZBVTP-UHFFFAOYSA-N
XLogP3.74
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,2-di(quinolin-8-yl)cyclohexane-1,2-diamine
CID 175907470
3,3-dimethyl-1-quinolin-8-ylcyclopentan-1-amine
CID 81216679
3,3,5,5-tetramethyl-1-quinolin-8-ylcyclohexan-1-amine
CID 103961166
3-ethyl-1-quinolin-8-ylcyclohexan-1-amine
CID 81216378
1-(2-methyl-3-pyridinyl)cyclohexan-1-amine
CID 96855234
1-(quinolin-8-ylmethyl)cyclohexan-1-amine
CID 114277682
1-isoquinolin-8-ylcyclohexan-1-amine
CID 103143187
8-[1-(methoxymethyl)cyclopropyl]quinoline
CID 141434514
1-(quinolin-8-ylmethoxymethyl)cyclopentan-1-amine
CID 64574612
[1-(quinolin-8-yloxymethyl)cyclohexyl]methanamine
CID 94696957
1-(8-methoxyquinolin-4-yl)cyclohexan-1-amine
CID 82665358
3-fluoro-3-quinolin-8-ylcyclobutan-1-amine
CID 112564127

Frequently Asked Questions

What is the IUPAC name of 1-quinolin-8-ylcycloheptan-1-amine?
The IUPAC name of 1-quinolin-8-ylcycloheptan-1-amine (CID 81216592) is 1-quinolin-8-ylcycloheptan-1-amine.
What is the SMILES notation for 1-quinolin-8-ylcycloheptan-1-amine?
The canonical SMILES for 1-quinolin-8-ylcycloheptan-1-amine is NC1(c2cccc3cccnc23)CCCCCC1.
What is the InChIKey of 1-quinolin-8-ylcycloheptan-1-amine?
The InChIKey is XPBGTDJPIZBVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c17-16(10-3-1-2-4-11-16)14-9-5-7-13-8-6-12-18-15(13)14/h5-9,12H,1-4,10-11,17H2.
What are the key properties of 1-quinolin-8-ylcycloheptan-1-amine?
1-quinolin-8-ylcycloheptan-1-amine has a molecular weight of 240.35 g/mol, XLogP of 3.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-quinolin-8-ylcycloheptan-1-amine is sourced from PubChem (CID 81216592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).