[1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-ethylcycloheptyl]methanamine

C19H30N2 — CID 65087911

IUPAC[1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-ethylcycloheptyl]methanamine
SMILESCCC1CCCC(CN)(N2CCc3ccccc3C2)CC1
InChIInChI=1S/C19H30N2/c1-2-16-6-5-11-19(15-20,12-9-16)21-13-10-17-7-3-4-8-18(17)14-21/h3-4,7-8,16H,2,5-6,9-15,20H2,1H3
InChIKeyIEWLWTIKLSGDHR-UHFFFAOYSA-N
MW286.46 g/mol
LogP3.73
Rot. Bonds3

About [1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-ethylcycloheptyl]methanamine

[1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-ethylcycloheptyl]methanamine (PubChem CID 65087911) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is [1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-ethylcycloheptyl]methanamine.

Molecular Properties

Compound Name[1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-ethylcycloheptyl]methanamine
PubChem CID65087911
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name[1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-ethylcycloheptyl]methanamine
SMILESCCC1CCCC(CN)(N2CCc3ccccc3C2)CC1
InChIInChI=1S/C19H30N2/c1-2-16-6-5-11-19(15-20,12-9-16)21-13-10-17-7-3-4-8-18(17)14-21/h3-4,7-8,16H,2,5-6,9-15,20H2,1H3
InChIKeyIEWLWTIKLSGDHR-UHFFFAOYSA-N
XLogP3.73
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-ethylcycloheptyl]methanamine?
The IUPAC name of [1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-ethylcycloheptyl]methanamine (CID 65087911) is [1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-ethylcycloheptyl]methanamine.
What is the SMILES notation for [1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-ethylcycloheptyl]methanamine?
The canonical SMILES for [1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-ethylcycloheptyl]methanamine is CCC1CCCC(CN)(N2CCc3ccccc3C2)CC1.
What is the InChIKey of [1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-ethylcycloheptyl]methanamine?
The InChIKey is IEWLWTIKLSGDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-2-16-6-5-11-19(15-20,12-9-16)21-13-10-17-7-3-4-8-18(17)14-21/h3-4,7-8,16H,2,5-6,9-15,20H2,1H3.
What are the key properties of [1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-ethylcycloheptyl]methanamine?
[1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-ethylcycloheptyl]methanamine has a molecular weight of 286.46 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-ethylcycloheptyl]methanamine is sourced from PubChem (CID 65087911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).