N,2-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)cyclohexan-1-amine

C18H28N2 — CID 104557435

IUPACN,2-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)cyclohexan-1-amine
SMILESCC1CCCCC1N(C)Cc1cccc2c1CCNC2
InChIInChI=1S/C18H28N2/c1-14-6-3-4-9-18(14)20(2)13-16-8-5-7-15-12-19-11-10-17(15)16/h5,7-8,14,18-19H,3-4,6,9-13H2,1-2H3
InChIKeyHTVARDWRMFNDPA-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.34
Rot. Bonds3

About N,2-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)cyclohexan-1-amine

N,2-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)cyclohexan-1-amine (PubChem CID 104557435) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is N,2-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)cyclohexan-1-amine
PubChem CID104557435
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC NameN,2-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)cyclohexan-1-amine
SMILESCC1CCCCC1N(C)Cc1cccc2c1CCNC2
InChIInChI=1S/C18H28N2/c1-14-6-3-4-9-18(14)20(2)13-16-8-5-7-15-12-19-11-10-17(15)16/h5,7-8,14,18-19H,3-4,6,9-13H2,1-2H3
InChIKeyHTVARDWRMFNDPA-UHFFFAOYSA-N
XLogP3.34
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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

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Related Compounds

N-methyl-1-(oxan-2-yl)-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)methanamine
CID 104557383
N,N-dimethyl-1-[[methyl(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)amino]methyl]cyclobutan-1-amine
CID 105421361
N-(2-methylpropyl)-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)cyclopentanamine
CID 104557605
1-(2-bromophenyl)-N-methyl-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)methanamine
CID 104557368
N,N-dimethyl-N'-(2-methylpropyl)-N'-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)ethane-1,2-diamine
CID 104557446
N-(cyclohexylmethyl)-N-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine
CID 81214502
N,N-dimethyl-1-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)pyrrolidin-3-amine
CID 104557518
N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)propan-2-amine
CID 104557343
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanamine
CID 104557392
N-ethyl-N-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine
CID 81215567
N-methyl-2-pyridin-2-yl-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)ethanamine
CID 104557278
3-methoxy-N-(2-methoxyethyl)-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)propan-1-amine
CID 104557423

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)cyclohexan-1-amine?
The IUPAC name of N,2-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)cyclohexan-1-amine (CID 104557435) is N,2-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for N,2-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for N,2-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)cyclohexan-1-amine is CC1CCCCC1N(C)Cc1cccc2c1CCNC2.
What is the InChIKey of N,2-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)cyclohexan-1-amine?
The InChIKey is HTVARDWRMFNDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-14-6-3-4-9-18(14)20(2)13-16-8-5-7-15-12-19-11-10-17(15)16/h5,7-8,14,18-19H,3-4,6,9-13H2,1-2H3.
What are the key properties of N,2-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)cyclohexan-1-amine?
N,2-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)cyclohexan-1-amine has a molecular weight of 272.44 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 104557435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).