1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexan-1-amine

C17H26N2 — CID 64678711

IUPAC1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexan-1-amine
SMILESNC1(CCN2CCc3ccccc3C2)CCCCC1
InChIInChI=1S/C17H26N2/c18-17(9-4-1-5-10-17)11-13-19-12-8-15-6-2-3-7-16(15)14-19/h2-3,6-7H,1,4-5,8-14,18H2
InChIKeyDSLQBDFPVFHIJS-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.10
Rot. Bonds3

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

1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexan-1-amine (PubChem CID 64678711) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexan-1-amine
PubChem CID64678711
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexan-1-amine
SMILESNC1(CCN2CCc3ccccc3C2)CCCCC1
InChIInChI=1S/C17H26N2/c18-17(9-4-1-5-10-17)11-13-19-12-8-15-6-2-3-7-16(15)14-19/h2-3,6-7H,1,4-5,8-14,18H2
InChIKeyDSLQBDFPVFHIJS-UHFFFAOYSA-N
XLogP3.10
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]cyclohexan-1-amine
CID 64682905
1-[2-(1,3-dihydroisoindol-2-yl)ethyl]cyclohexan-1-amine
CID 18630970
1-[2-(6-bromo-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexan-1-amine
CID 70150183
[1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]methanamine
CID 104678682
2-[2-(1-aminocyclohexyl)ethyl]-3,4-dihydro-1H-isoquinoline-6-carbonitrile
CID 22570212
[1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclopropyl]methanamine
CID 84793998
1-[2-(6-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethyl]cyclohexan-1-amine
CID 69095548
1-amino-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119850099
2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3,4-dihydro-1H-isoquinoline;dihydrobromide
CID 131883166
1-[2-(azocan-1-yl)ethyl]cyclohexan-1-amine
CID 64678910
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]cyclohexan-1-amine?
The IUPAC name of 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexan-1-amine (CID 64678711) is 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexan-1-amine is NC1(CCN2CCc3ccccc3C2)CCCCC1.
What is the InChIKey of 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexan-1-amine?
The InChIKey is DSLQBDFPVFHIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c18-17(9-4-1-5-10-17)11-13-19-12-8-15-6-2-3-7-16(15)14-19/h2-3,6-7H,1,4-5,8-14,18H2.
What are the key properties of 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexan-1-amine?
1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexan-1-amine has a molecular weight of 258.41 g/mol, XLogP of 3.10, 3 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]cyclohexan-1-amine is sourced from PubChem (CID 64678711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).