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

C18H28N2 — CID 104678682

IUPAC[1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]methanamine
SMILESNCC1(CCN2CCc3ccccc3C2)CCCCC1
InChIInChI=1S/C18H28N2/c19-15-18(9-4-1-5-10-18)11-13-20-12-8-16-6-2-3-7-17(16)14-20/h2-3,6-7H,1,4-5,8-15,19H2
InChIKeyIYUUZDAWUPPUSK-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.34
Rot. Bonds4

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

[1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]methanamine (PubChem CID 104678682) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is [1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]methanamine
PubChem CID104678682
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name[1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]methanamine
SMILESNCC1(CCN2CCc3ccccc3C2)CCCCC1
InChIInChI=1S/C18H28N2/c19-15-18(9-4-1-5-10-18)11-13-20-12-8-16-6-2-3-7-17(16)14-20/h2-3,6-7H,1,4-5,8-15,19H2
InChIKeyIYUUZDAWUPPUSK-UHFFFAOYSA-N
XLogP3.34
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclopropyl]methanamine
CID 84793998
1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexan-1-amine
CID 64678711
[1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]cyclohexyl]methanamine
CID 104678673
[1-(1,3-dihydroisoindol-2-ylmethyl)cyclohexyl]methanamine
CID 55051740
1-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]cyclohexan-1-amine
CID 64682905
[1-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)cyclopropyl]methanamine
CID 115453899
1-[2-(1,3-dihydroisoindol-2-yl)ethyl]cyclohexan-1-amine
CID 18630970
4-(3,4-dihydro-1H-isoquinolin-2-yl)butan-1-amine;hydrochloride
CID 68962885
2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3,4-dihydro-1H-isoquinoline;dihydrobromide
CID 131883166
[1-[2-(8-azaspiro[4.5]decan-8-yl)ethyl]cyclohexyl]methanamine
CID 104678904
1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)cyclopentan-1-ol
CID 65212502
3-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
CID 583481

Frequently Asked Questions

What is the IUPAC name of [1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]methanamine?
The IUPAC name of [1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]methanamine (CID 104678682) is [1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]methanamine.
What is the SMILES notation for [1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]methanamine?
The canonical SMILES for [1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]methanamine is NCC1(CCN2CCc3ccccc3C2)CCCCC1.
What is the InChIKey of [1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]methanamine?
The InChIKey is IYUUZDAWUPPUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c19-15-18(9-4-1-5-10-18)11-13-20-12-8-16-6-2-3-7-17(16)14-20/h2-3,6-7H,1,4-5,8-15,19H2.
What are the key properties of [1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]methanamine?
[1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]methanamine has a molecular weight of 272.44 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]methanamine is sourced from PubChem (CID 104678682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).