N-methyl-N-(4-methylcyclohexyl)-1,2,3,4-tetrahydroquinolin-6-amine

C17H26N2 — CID 81214992

IUPACN-methyl-N-(4-methylcyclohexyl)-1,2,3,4-tetrahydroquinolin-6-amine
SMILESCC1CCC(N(C)c2ccc3c(c2)CCCN3)CC1
InChIInChI=1S/C17H26N2/c1-13-5-7-15(8-6-13)19(2)16-9-10-17-14(12-16)4-3-11-18-17/h9-10,12-13,15,18H,3-8,11H2,1-2H3
InChIKeyHOSVHYKZIVDPLS-UHFFFAOYSA-N
MW258.41 g/mol
LogP4.06
Rot. Bonds2

About N-methyl-N-(4-methylcyclohexyl)-1,2,3,4-tetrahydroquinolin-6-amine

N-methyl-N-(4-methylcyclohexyl)-1,2,3,4-tetrahydroquinolin-6-amine (PubChem CID 81214992) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is N-methyl-N-(4-methylcyclohexyl)-1,2,3,4-tetrahydroquinolin-6-amine.

Molecular Properties

Compound NameN-methyl-N-(4-methylcyclohexyl)-1,2,3,4-tetrahydroquinolin-6-amine
PubChem CID81214992
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC NameN-methyl-N-(4-methylcyclohexyl)-1,2,3,4-tetrahydroquinolin-6-amine
SMILESCC1CCC(N(C)c2ccc3c(c2)CCCN3)CC1
InChIInChI=1S/C17H26N2/c1-13-5-7-15(8-6-13)19(2)16-9-10-17-14(12-16)4-3-11-18-17/h9-10,12-13,15,18H,3-8,11H2,1-2H3
InChIKeyHOSVHYKZIVDPLS-UHFFFAOYSA-N
XLogP4.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-methylcyclohexyl)-1,2,3,4-tetrahydroquinolin-6-amine?
The IUPAC name of N-methyl-N-(4-methylcyclohexyl)-1,2,3,4-tetrahydroquinolin-6-amine (CID 81214992) is N-methyl-N-(4-methylcyclohexyl)-1,2,3,4-tetrahydroquinolin-6-amine.
What is the SMILES notation for N-methyl-N-(4-methylcyclohexyl)-1,2,3,4-tetrahydroquinolin-6-amine?
The canonical SMILES for N-methyl-N-(4-methylcyclohexyl)-1,2,3,4-tetrahydroquinolin-6-amine is CC1CCC(N(C)c2ccc3c(c2)CCCN3)CC1.
What is the InChIKey of N-methyl-N-(4-methylcyclohexyl)-1,2,3,4-tetrahydroquinolin-6-amine?
The InChIKey is HOSVHYKZIVDPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-13-5-7-15(8-6-13)19(2)16-9-10-17-14(12-16)4-3-11-18-17/h9-10,12-13,15,18H,3-8,11H2,1-2H3.
What are the key properties of N-methyl-N-(4-methylcyclohexyl)-1,2,3,4-tetrahydroquinolin-6-amine?
N-methyl-N-(4-methylcyclohexyl)-1,2,3,4-tetrahydroquinolin-6-amine has a molecular weight of 258.41 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-methylcyclohexyl)-1,2,3,4-tetrahydroquinolin-6-amine is sourced from PubChem (CID 81214992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).