N-ethyl-3-isoquinolin-4-yl-3-methylcyclopentan-1-amine

C17H22N2 — CID 116539436

IUPACN-ethyl-3-isoquinolin-4-yl-3-methylcyclopentan-1-amine
SMILESCCNC1CCC(C)(c2cncc3ccccc23)C1
InChIInChI=1S/C17H22N2/c1-3-19-14-8-9-17(2,10-14)16-12-18-11-13-6-4-5-7-15(13)16/h4-7,11-12,14,19H,3,8-10H2,1-2H3
InChIKeyKORPDCMZAJRGPT-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.65
Rot. Bonds3

About N-ethyl-3-isoquinolin-4-yl-3-methylcyclopentan-1-amine

N-ethyl-3-isoquinolin-4-yl-3-methylcyclopentan-1-amine (PubChem CID 116539436) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is N-ethyl-3-isoquinolin-4-yl-3-methylcyclopentan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-isoquinolin-4-yl-3-methylcyclopentan-1-amine
PubChem CID116539436
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC NameN-ethyl-3-isoquinolin-4-yl-3-methylcyclopentan-1-amine
SMILESCCNC1CCC(C)(c2cncc3ccccc23)C1
InChIInChI=1S/C17H22N2/c1-3-19-14-8-9-17(2,10-14)16-12-18-11-13-6-4-5-7-15(13)16/h4-7,11-12,14,19H,3,8-10H2,1-2H3
InChIKeyKORPDCMZAJRGPT-UHFFFAOYSA-N
XLogP3.65
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 ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-bromo-1-methylcyclopentyl)isoquinoline
CID 116540727
N-ethyl-3-methyl-3-(2-methylthiophen-3-yl)cyclopentan-1-amine
CID 102837866
N-ethyl-3-(5-fluoro-3-pyridinyl)-3-methylcyclopentan-1-amine
CID 116539398
2-ethyl-1-isoquinolin-4-ylcyclopentan-1-ol
CID 113483858
N-ethyl-3-(furan-2-yl)-3-methylcyclopentan-1-amine
CID 116539435
3-methyl-N-propyl-3-[4-(trifluoromethyl)-3-pyridinyl]cyclopentan-1-amine
CID 102708933
3-(7-chloro-1-benzofuran-2-yl)-N-ethyl-3-methylcyclopentan-1-amine
CID 114733667
3-methyl-3-naphthalen-1-ylcyclopentan-1-amine
CID 116538934
3-(5-chlorothiophen-2-yl)-N-ethyl-3-methylcyclopentan-1-amine
CID 116539484
3-(1-benzothiophen-7-yl)-3-methyl-N-propylcyclopentan-1-amine
CID 116539698
3-(3-cyclobutylphenyl)-N-ethyl-3-methylcyclopentan-1-amine
CID 114606402
N-[(2-isoquinolin-4-ylcyclobutyl)methyl]ethanamine
CID 81016883

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-isoquinolin-4-yl-3-methylcyclopentan-1-amine?
The IUPAC name of N-ethyl-3-isoquinolin-4-yl-3-methylcyclopentan-1-amine (CID 116539436) is N-ethyl-3-isoquinolin-4-yl-3-methylcyclopentan-1-amine.
What is the SMILES notation for N-ethyl-3-isoquinolin-4-yl-3-methylcyclopentan-1-amine?
The canonical SMILES for N-ethyl-3-isoquinolin-4-yl-3-methylcyclopentan-1-amine is CCNC1CCC(C)(c2cncc3ccccc23)C1.
What is the InChIKey of N-ethyl-3-isoquinolin-4-yl-3-methylcyclopentan-1-amine?
The InChIKey is KORPDCMZAJRGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-3-19-14-8-9-17(2,10-14)16-12-18-11-13-6-4-5-7-15(13)16/h4-7,11-12,14,19H,3,8-10H2,1-2H3.
What are the key properties of N-ethyl-3-isoquinolin-4-yl-3-methylcyclopentan-1-amine?
N-ethyl-3-isoquinolin-4-yl-3-methylcyclopentan-1-amine has a molecular weight of 254.38 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-isoquinolin-4-yl-3-methylcyclopentan-1-amine is sourced from PubChem (CID 116539436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).