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

C15H22N2 — CID 84793998

IUPAC[1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclopropyl]methanamine
SMILESNCC1(CCN2CCc3ccccc3C2)CC1
InChIInChI=1S/C15H22N2/c16-12-15(6-7-15)8-10-17-9-5-13-3-1-2-4-14(13)11-17/h1-4H,5-12,16H2
InChIKeyXMNBOOFGGYWDIT-UHFFFAOYSA-N
MW230.35 g/mol
LogP2.17
Rot. Bonds4

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

[1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclopropyl]methanamine (PubChem CID 84793998) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is [1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclopropyl]methanamine
PubChem CID84793998
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name[1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclopropyl]methanamine
SMILESNCC1(CCN2CCc3ccccc3C2)CC1
InChIInChI=1S/C15H22N2/c16-12-15(6-7-15)8-10-17-9-5-13-3-1-2-4-14(13)11-17/h1-4H,5-12,16H2
InChIKeyXMNBOOFGGYWDIT-UHFFFAOYSA-N
XLogP2.17
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]methanamine
CID 104678682
[1-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)cyclopropyl]methanamine
CID 115453899
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
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
3-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
CID 583481
2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]ethanamine
CID 39244545
1-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]cyclohexan-1-amine
CID 64682905
(2R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)butan-2-amine
CID 93302066
6-(3,4-dihydro-1H-isoquinolin-2-yl)hexanamide;hydrochloride
CID 21092218
[4-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)oxan-4-yl]methanamine
CID 63152906

Frequently Asked Questions

What is the IUPAC name of [1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclopropyl]methanamine?
The IUPAC name of [1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclopropyl]methanamine (CID 84793998) is [1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclopropyl]methanamine.
What is the SMILES notation for [1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclopropyl]methanamine?
The canonical SMILES for [1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclopropyl]methanamine is NCC1(CCN2CCc3ccccc3C2)CC1.
What is the InChIKey of [1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclopropyl]methanamine?
The InChIKey is XMNBOOFGGYWDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c16-12-15(6-7-15)8-10-17-9-5-13-3-1-2-4-14(13)11-17/h1-4H,5-12,16H2.
What are the key properties of [1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclopropyl]methanamine?
[1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclopropyl]methanamine has a molecular weight of 230.35 g/mol, XLogP of 2.17, 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]cyclopropyl]methanamine is sourced from PubChem (CID 84793998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).