3,3-dimethyl-N-(quinolin-8-ylmethyl)cyclopentan-1-amine

C17H22N2 — CID 81428857

IUPAC3,3-dimethyl-N-(quinolin-8-ylmethyl)cyclopentan-1-amine
SMILESCC1(C)CCC(NCc2cccc3cccnc23)C1
InChIInChI=1S/C17H22N2/c1-17(2)9-8-15(11-17)19-12-14-6-3-5-13-7-4-10-18-16(13)14/h3-7,10,15,19H,8-9,11-12H2,1-2H3
InChIKeyDMUCMDJVPUTTKI-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.90
Rot. Bonds3

About 3,3-dimethyl-N-(quinolin-8-ylmethyl)cyclopentan-1-amine

3,3-dimethyl-N-(quinolin-8-ylmethyl)cyclopentan-1-amine (PubChem CID 81428857) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 3,3-dimethyl-N-(quinolin-8-ylmethyl)cyclopentan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-N-(quinolin-8-ylmethyl)cyclopentan-1-amine
PubChem CID81428857
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name3,3-dimethyl-N-(quinolin-8-ylmethyl)cyclopentan-1-amine
SMILESCC1(C)CCC(NCc2cccc3cccnc23)C1
InChIInChI=1S/C17H22N2/c1-17(2)9-8-15(11-17)19-12-14-6-3-5-13-7-4-10-18-16(13)14/h3-7,10,15,19H,8-9,11-12H2,1-2H3
InChIKeyDMUCMDJVPUTTKI-UHFFFAOYSA-N
XLogP3.90
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1R,3R)-3-(aminomethyl)-3-fluoro-N-(quinolin-8-ylmethyl)cyclopentan-1-amine
CID 166288065
N-[(3-ethyl-2-pyridinyl)methyl]-3,3-dimethylcyclopentan-1-amine
CID 82731912
3-methyl-N-(quinolin-8-ylmethyl)cyclopentan-1-amine
CID 79032434
4-methyl-N-(quinolin-8-ylmethyl)cycloheptan-1-amine
CID 81426138
2,2,5,5-tetramethyl-N-(quinolin-8-ylmethyl)oxolan-3-amine
CID 81333756
3-methylsulfanyl-N-(quinolin-8-ylmethyl)cyclopentan-1-amine
CID 103701386
(5R,9S)-N-(quinolin-8-ylmethyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 97234841
3-(quinolin-8-ylmethylamino)cyclohexan-1-ol
CID 43751062
3,3-dimethyl-N-[(2-pyrazol-1-ylphenyl)methyl]cyclopentan-1-amine
CID 80706227
2-methyl-N-(quinolin-8-ylmethyl)oxan-4-amine
CID 81428245
2-methyl-N-(quinolin-8-ylmethyl)oxolan-3-amine
CID 115337151
3,3-dimethyl-N-[(2-prop-2-ynoxyphenyl)methyl]cyclopentan-1-amine
CID 114544341

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-(quinolin-8-ylmethyl)cyclopentan-1-amine?
The IUPAC name of 3,3-dimethyl-N-(quinolin-8-ylmethyl)cyclopentan-1-amine (CID 81428857) is 3,3-dimethyl-N-(quinolin-8-ylmethyl)cyclopentan-1-amine.
What is the SMILES notation for 3,3-dimethyl-N-(quinolin-8-ylmethyl)cyclopentan-1-amine?
The canonical SMILES for 3,3-dimethyl-N-(quinolin-8-ylmethyl)cyclopentan-1-amine is CC1(C)CCC(NCc2cccc3cccnc23)C1.
What is the InChIKey of 3,3-dimethyl-N-(quinolin-8-ylmethyl)cyclopentan-1-amine?
The InChIKey is DMUCMDJVPUTTKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-17(2)9-8-15(11-17)19-12-14-6-3-5-13-7-4-10-18-16(13)14/h3-7,10,15,19H,8-9,11-12H2,1-2H3.
What are the key properties of 3,3-dimethyl-N-(quinolin-8-ylmethyl)cyclopentan-1-amine?
3,3-dimethyl-N-(quinolin-8-ylmethyl)cyclopentan-1-amine has a molecular weight of 254.38 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-(quinolin-8-ylmethyl)cyclopentan-1-amine is sourced from PubChem (CID 81428857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).