N-[(2,2-dimethylcyclopentyl)-quinolin-3-ylmethyl]ethanamine

C19H26N2 — CID 107187856

IUPACN-[(2,2-dimethylcyclopentyl)-quinolin-3-ylmethyl]ethanamine
SMILESCCNC(c1cnc2ccccc2c1)C1CCCC1(C)C
InChIInChI=1S/C19H26N2/c1-4-20-18(16-9-7-11-19(16,2)3)15-12-14-8-5-6-10-17(14)21-13-15/h5-6,8,10,12-13,16,18,20H,4,7,9,11H2,1-3H3
InChIKeyBZYMWYKUDXKWTR-UHFFFAOYSA-N
MW282.43 g/mol
LogP4.71
Rot. Bonds4

About N-[(2,2-dimethylcyclopentyl)-quinolin-3-ylmethyl]ethanamine

N-[(2,2-dimethylcyclopentyl)-quinolin-3-ylmethyl]ethanamine (PubChem CID 107187856) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is N-[(2,2-dimethylcyclopentyl)-quinolin-3-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(2,2-dimethylcyclopentyl)-quinolin-3-ylmethyl]ethanamine
PubChem CID107187856
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC NameN-[(2,2-dimethylcyclopentyl)-quinolin-3-ylmethyl]ethanamine
SMILESCCNC(c1cnc2ccccc2c1)C1CCCC1(C)C
InChIInChI=1S/C19H26N2/c1-4-20-18(16-9-7-11-19(16,2)3)15-12-14-8-5-6-10-17(14)21-13-15/h5-6,8,10,12-13,16,18,20H,4,7,9,11H2,1-3H3
InChIKeyBZYMWYKUDXKWTR-UHFFFAOYSA-N
XLogP4.71
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,2-dimethylcyclopentyl)-(4-methoxyphenyl)methyl]ethanamine
CID 107177351
N-[(3-cyclopropyloxyphenyl)-(2,2-dimethylcyclopentyl)methyl]ethanamine
CID 107191369
N-[1,4-oxathian-2-yl(quinolin-3-yl)methyl]ethanamine
CID 79963246
N-[(2,2-dimethylcyclohexyl)-(3,5-dimethylphenyl)methyl]ethanamine
CID 107187850
N-[(2,2-dimethylcyclohexyl)-(4-methoxyphenyl)methyl]ethanamine
CID 107177352
N-[(4-methylthiomorpholin-3-yl)-quinolin-3-ylmethyl]ethanamine
CID 106445061
1-(2,2-dimethylcyclopentyl)-N-methyl-1-naphthalen-2-ylmethanamine
CID 107188518
N-[(4-cyclopropyloxyphenyl)-(2,2-dimethylcyclopentyl)methyl]ethanamine
CID 107191360
2-cyclopropyl-N-ethyl-2-methoxy-1-quinolin-3-ylethanamine
CID 116722411
1-(6-bicyclo[3.1.0]hexanyl)-N-methyl-1-quinolin-3-ylmethanamine
CID 115797702
N-[(2,2-dimethylcyclohexyl)-(4-propylphenyl)methyl]ethanamine
CID 107177413
N-[3-bicyclo[3.1.0]hexanyl(quinolin-3-yl)methyl]propan-1-amine
CID 115797726

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethylcyclopentyl)-quinolin-3-ylmethyl]ethanamine?
The IUPAC name of N-[(2,2-dimethylcyclopentyl)-quinolin-3-ylmethyl]ethanamine (CID 107187856) is N-[(2,2-dimethylcyclopentyl)-quinolin-3-ylmethyl]ethanamine.
What is the SMILES notation for N-[(2,2-dimethylcyclopentyl)-quinolin-3-ylmethyl]ethanamine?
The canonical SMILES for N-[(2,2-dimethylcyclopentyl)-quinolin-3-ylmethyl]ethanamine is CCNC(c1cnc2ccccc2c1)C1CCCC1(C)C.
What is the InChIKey of N-[(2,2-dimethylcyclopentyl)-quinolin-3-ylmethyl]ethanamine?
The InChIKey is BZYMWYKUDXKWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2/c1-4-20-18(16-9-7-11-19(16,2)3)15-12-14-8-5-6-10-17(14)21-13-15/h5-6,8,10,12-13,16,18,20H,4,7,9,11H2,1-3H3.
What are the key properties of N-[(2,2-dimethylcyclopentyl)-quinolin-3-ylmethyl]ethanamine?
N-[(2,2-dimethylcyclopentyl)-quinolin-3-ylmethyl]ethanamine has a molecular weight of 282.43 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethylcyclopentyl)-quinolin-3-ylmethyl]ethanamine is sourced from PubChem (CID 107187856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).