N-ethyl-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)cyclohexanamine

C18H28N2 — CID 65262124

IUPACN-ethyl-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)cyclohexanamine
SMILESCCN(CC1CNCc2ccccc21)C1CCCCC1
InChIInChI=1S/C18H28N2/c1-2-20(17-9-4-3-5-10-17)14-16-13-19-12-15-8-6-7-11-18(15)16/h6-8,11,16-17,19H,2-5,9-10,12-14H2,1H3
InChIKeyDDOPQMHDDPOJBI-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.53
Rot. Bonds4

About N-ethyl-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)cyclohexanamine

N-ethyl-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)cyclohexanamine (PubChem CID 65262124) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is N-ethyl-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)cyclohexanamine.

Molecular Properties

Compound NameN-ethyl-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)cyclohexanamine
PubChem CID65262124
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC NameN-ethyl-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)cyclohexanamine
SMILESCCN(CC1CNCc2ccccc21)C1CCCCC1
InChIInChI=1S/C18H28N2/c1-2-20(17-9-4-3-5-10-17)14-16-13-19-12-15-8-6-7-11-18(15)16/h6-8,11,16-17,19H,2-5,9-10,12-14H2,1H3
InChIKeyDDOPQMHDDPOJBI-UHFFFAOYSA-N
XLogP3.53
TPSA15.27 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 ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methylpropyl)-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)cyclopropanamine
CID 65262181
N-(3-methylbutyl)-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)cyclopropanamine
CID 79005146
N,N-dimethyl-1-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanamine
CID 64989430
(4R)-N,N-diethyl-1,2,3,4-tetrahydroisoquinolin-4-amine
CID 9168642
N-methyl-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)propan-1-amine
CID 65262509
N-(cyclopropylmethyl)-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)propan-1-amine
CID 65262416
N-methyl-1-(oxolan-2-yl)-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)methanamine
CID 65262274
N-methyl-2-phenyl-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)ethanamine
CID 65486181
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-N-(2-chloroethyl)cyclohexanamine
CID 66394307
4-[(4-ethylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 104505031
2-(aminomethyl)-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-N-ethylcyclohexan-1-amine
CID 66418374
N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)cyclopropanamine
CID 65262510

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)cyclohexanamine?
The IUPAC name of N-ethyl-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)cyclohexanamine (CID 65262124) is N-ethyl-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)cyclohexanamine.
What is the SMILES notation for N-ethyl-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)cyclohexanamine?
The canonical SMILES for N-ethyl-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)cyclohexanamine is CCN(CC1CNCc2ccccc21)C1CCCCC1.
What is the InChIKey of N-ethyl-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)cyclohexanamine?
The InChIKey is DDOPQMHDDPOJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-2-20(17-9-4-3-5-10-17)14-16-13-19-12-15-8-6-7-11-18(15)16/h6-8,11,16-17,19H,2-5,9-10,12-14H2,1H3.
What are the key properties of N-ethyl-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)cyclohexanamine?
N-ethyl-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)cyclohexanamine has a molecular weight of 272.44 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)cyclohexanamine is sourced from PubChem (CID 65262124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).