N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexanamine

C17H26N2 — CID 60743974

IUPACN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexanamine
SMILESc1ccc2c(c1)CCN(CCNC1CCCCC1)C2
InChIInChI=1S/C17H26N2/c1-2-8-17(9-3-1)18-11-13-19-12-10-15-6-4-5-7-16(15)14-19/h4-7,17-18H,1-3,8-14H2
InChIKeyJPLWDSMALIHUGJ-UHFFFAOYSA-N
MW258.41 g/mol
LogP2.97
Rot. Bonds4

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

N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexanamine (PubChem CID 60743974) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexanamine.

Molecular Properties

Compound NameN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexanamine
PubChem CID60743974
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC NameN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexanamine
SMILESc1ccc2c(c1)CCN(CCNC1CCCCC1)C2
InChIInChI=1S/C17H26N2/c1-2-8-17(9-3-1)18-11-13-19-12-10-15-6-4-5-7-16(15)14-19/h4-7,17-18H,1-3,8-14H2
InChIKeyJPLWDSMALIHUGJ-UHFFFAOYSA-N
XLogP2.97
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]cyclopentanamine
CID 55160032
N-[4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butyl]cyclopropanamine
CID 63153176
N-[2-(2,3-dihydroindol-1-yl)ethyl]cyclopentanamine
CID 55024431
3-(cycloheptylamino)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one
CID 109024411
N-(2-pyrrolidin-1-ylethyl)cyclohexanamine
CID 43181622
N-cyclopentyl-3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propylcarbamoylamino]propanamide
CID 86831325
N-[2-(4-methylpiperazin-1-yl)ethyl]cyclohexanamine
CID 60701363
2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3,4-dihydro-1H-isoquinoline;dihydrobromide
CID 131883166
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]acetamide
CID 39568678
1-cyclopropyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]ethanamine
CID 55085155
1-(cyclopropylamino)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
CID 43165764
2-(2-piperidin-2-ylethyl)-3,4-dihydro-1H-isoquinoline;dihydrochloride
CID 53408872

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexanamine?
The IUPAC name of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexanamine (CID 60743974) is N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexanamine.
What is the SMILES notation for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexanamine?
The canonical SMILES for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexanamine is c1ccc2c(c1)CCN(CCNC1CCCCC1)C2.
What is the InChIKey of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexanamine?
The InChIKey is JPLWDSMALIHUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-2-8-17(9-3-1)18-11-13-19-12-10-15-6-4-5-7-16(15)14-19/h4-7,17-18H,1-3,8-14H2.
What are the key properties of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexanamine?
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexanamine has a molecular weight of 258.41 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexanamine is sourced from PubChem (CID 60743974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).