N,3,4-trimethyl-N-[[4-(methylamino)cyclohexyl]methyl]aniline

C17H28N2 — CID 115213609

IUPACN,3,4-trimethyl-N-[[4-(methylamino)cyclohexyl]methyl]aniline
SMILESCNC1CCC(CN(C)c2ccc(C)c(C)c2)CC1
InChIInChI=1S/C17H28N2/c1-13-5-10-17(11-14(13)2)19(4)12-15-6-8-16(18-3)9-7-15/h5,10-11,15-16,18H,6-9,12H2,1-4H3
InChIKeyIGMXJEMZMDCHTD-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.52
Rot. Bonds4

About N,3,4-trimethyl-N-[[4-(methylamino)cyclohexyl]methyl]aniline

N,3,4-trimethyl-N-[[4-(methylamino)cyclohexyl]methyl]aniline (PubChem CID 115213609) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N,3,4-trimethyl-N-[[4-(methylamino)cyclohexyl]methyl]aniline.

Molecular Properties

Compound NameN,3,4-trimethyl-N-[[4-(methylamino)cyclohexyl]methyl]aniline
PubChem CID115213609
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN,3,4-trimethyl-N-[[4-(methylamino)cyclohexyl]methyl]aniline
SMILESCNC1CCC(CN(C)c2ccc(C)c(C)c2)CC1
InChIInChI=1S/C17H28N2/c1-13-5-10-17(11-14(13)2)19(4)12-15-6-8-16(18-3)9-7-15/h5,10-11,15-16,18H,6-9,12H2,1-4H3
InChIKeyIGMXJEMZMDCHTD-UHFFFAOYSA-N
XLogP3.52
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 ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,3,4-trimethyl-N-[[4-(methylamino)cyclohexyl]methyl]aniline?
The IUPAC name of N,3,4-trimethyl-N-[[4-(methylamino)cyclohexyl]methyl]aniline (CID 115213609) is N,3,4-trimethyl-N-[[4-(methylamino)cyclohexyl]methyl]aniline.
What is the SMILES notation for N,3,4-trimethyl-N-[[4-(methylamino)cyclohexyl]methyl]aniline?
The canonical SMILES for N,3,4-trimethyl-N-[[4-(methylamino)cyclohexyl]methyl]aniline is CNC1CCC(CN(C)c2ccc(C)c(C)c2)CC1.
What is the InChIKey of N,3,4-trimethyl-N-[[4-(methylamino)cyclohexyl]methyl]aniline?
The InChIKey is IGMXJEMZMDCHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-13-5-10-17(11-14(13)2)19(4)12-15-6-8-16(18-3)9-7-15/h5,10-11,15-16,18H,6-9,12H2,1-4H3.
What are the key properties of N,3,4-trimethyl-N-[[4-(methylamino)cyclohexyl]methyl]aniline?
N,3,4-trimethyl-N-[[4-(methylamino)cyclohexyl]methyl]aniline has a molecular weight of 260.43 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,4-trimethyl-N-[[4-(methylamino)cyclohexyl]methyl]aniline is sourced from PubChem (CID 115213609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).