N,N,4-trimethyl-1-[methylamino(phenyl)methyl]cyclohexan-1-amine

C17H28N2 — CID 79074735

IUPACN,N,4-trimethyl-1-[methylamino(phenyl)methyl]cyclohexan-1-amine
SMILESCNC(c1ccccc1)C1(N(C)C)CCC(C)CC1
InChIInChI=1S/C17H28N2/c1-14-10-12-17(13-11-14,19(3)4)16(18-2)15-8-6-5-7-9-15/h5-9,14,16,18H,10-13H2,1-4H3
InChIKeyJQWMQAVNNLBOCT-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.46
Rot. Bonds4

About N,N,4-trimethyl-1-[methylamino(phenyl)methyl]cyclohexan-1-amine

N,N,4-trimethyl-1-[methylamino(phenyl)methyl]cyclohexan-1-amine (PubChem CID 79074735) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N,N,4-trimethyl-1-[methylamino(phenyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN,N,4-trimethyl-1-[methylamino(phenyl)methyl]cyclohexan-1-amine
PubChem CID79074735
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN,N,4-trimethyl-1-[methylamino(phenyl)methyl]cyclohexan-1-amine
SMILESCNC(c1ccccc1)C1(N(C)C)CCC(C)CC1
InChIInChI=1S/C17H28N2/c1-14-10-12-17(13-11-14,19(3)4)16(18-2)15-8-6-5-7-9-15/h5-9,14,16,18H,10-13H2,1-4H3
InChIKeyJQWMQAVNNLBOCT-UHFFFAOYSA-N
XLogP3.46
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-1-[methylamino(phenyl)methyl]cyclohexan-1-amine?
The IUPAC name of N,N,4-trimethyl-1-[methylamino(phenyl)methyl]cyclohexan-1-amine (CID 79074735) is N,N,4-trimethyl-1-[methylamino(phenyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for N,N,4-trimethyl-1-[methylamino(phenyl)methyl]cyclohexan-1-amine?
The canonical SMILES for N,N,4-trimethyl-1-[methylamino(phenyl)methyl]cyclohexan-1-amine is CNC(c1ccccc1)C1(N(C)C)CCC(C)CC1.
What is the InChIKey of N,N,4-trimethyl-1-[methylamino(phenyl)methyl]cyclohexan-1-amine?
The InChIKey is JQWMQAVNNLBOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-14-10-12-17(13-11-14,19(3)4)16(18-2)15-8-6-5-7-9-15/h5-9,14,16,18H,10-13H2,1-4H3.
What are the key properties of N,N,4-trimethyl-1-[methylamino(phenyl)methyl]cyclohexan-1-amine?
N,N,4-trimethyl-1-[methylamino(phenyl)methyl]cyclohexan-1-amine has a molecular weight of 260.43 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-1-[methylamino(phenyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 79074735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).