N,4-dimethyl-N-[[2-(propylamino)cyclohexyl]methyl]aniline

C18H30N2 — CID 63494623

IUPACN,4-dimethyl-N-[[2-(propylamino)cyclohexyl]methyl]aniline
SMILESCCCNC1CCCCC1CN(C)c1ccc(C)cc1
InChIInChI=1S/C18H30N2/c1-4-13-19-18-8-6-5-7-16(18)14-20(3)17-11-9-15(2)10-12-17/h9-12,16,18-19H,4-8,13-14H2,1-3H3
InChIKeyCHZQPYVYWQDJCQ-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.99
Rot. Bonds6

About N,4-dimethyl-N-[[2-(propylamino)cyclohexyl]methyl]aniline

N,4-dimethyl-N-[[2-(propylamino)cyclohexyl]methyl]aniline (PubChem CID 63494623) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N,4-dimethyl-N-[[2-(propylamino)cyclohexyl]methyl]aniline.

Molecular Properties

Compound NameN,4-dimethyl-N-[[2-(propylamino)cyclohexyl]methyl]aniline
PubChem CID63494623
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN,4-dimethyl-N-[[2-(propylamino)cyclohexyl]methyl]aniline
SMILESCCCNC1CCCCC1CN(C)c1ccc(C)cc1
InChIInChI=1S/C18H30N2/c1-4-13-19-18-8-6-5-7-16(18)14-20(3)17-11-9-15(2)10-12-17/h9-12,16,18-19H,4-8,13-14H2,1-3H3
InChIKeyCHZQPYVYWQDJCQ-UHFFFAOYSA-N
XLogP3.99
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.99
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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Related Compounds

N-methyl-N-[[2-(propylamino)cyclohexyl]methyl]aniline
CID 62616342
N,3,5-trimethyl-N-[[2-(propylamino)cyclohexyl]methyl]aniline
CID 63494461
2-[(N,3-dimethylanilino)methyl]-N-propylcycloheptan-1-amine
CID 63495171
2-[(4-methylphenyl)methyl]-N-propylcyclohexan-1-amine
CID 55185583
2-fluoro-N-methyl-N-[[2-(propylamino)cyclohexyl]methyl]aniline
CID 63494821
2-[[cyclohexyl(methyl)amino]methyl]-N-propylcyclohexan-1-amine
CID 62615295
2-[[cycloheptyl(methyl)amino]methyl]-N-propylcycloheptan-1-amine
CID 63493452
N'-methyl-N-(2-methylcyclohexyl)-N'-(4-methylphenyl)ethane-1,2-diamine
CID 62555727
N-ethyl-2-methyl-N-[[2-(propylamino)cyclohexyl]methyl]aniline
CID 63484140
N-ethyl-2-[(N,2,4-trimethylanilino)methyl]cycloheptan-1-amine
CID 63494639
2-[methyl-[[2-(propylamino)cyclohexyl]methyl]amino]ethanol
CID 62614770
2-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-N-propylcyclohexan-1-amine
CID 105417254

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-[[2-(propylamino)cyclohexyl]methyl]aniline?
The IUPAC name of N,4-dimethyl-N-[[2-(propylamino)cyclohexyl]methyl]aniline (CID 63494623) is N,4-dimethyl-N-[[2-(propylamino)cyclohexyl]methyl]aniline.
What is the SMILES notation for N,4-dimethyl-N-[[2-(propylamino)cyclohexyl]methyl]aniline?
The canonical SMILES for N,4-dimethyl-N-[[2-(propylamino)cyclohexyl]methyl]aniline is CCCNC1CCCCC1CN(C)c1ccc(C)cc1.
What is the InChIKey of N,4-dimethyl-N-[[2-(propylamino)cyclohexyl]methyl]aniline?
The InChIKey is CHZQPYVYWQDJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-4-13-19-18-8-6-5-7-16(18)14-20(3)17-11-9-15(2)10-12-17/h9-12,16,18-19H,4-8,13-14H2,1-3H3.
What are the key properties of N,4-dimethyl-N-[[2-(propylamino)cyclohexyl]methyl]aniline?
N,4-dimethyl-N-[[2-(propylamino)cyclohexyl]methyl]aniline has a molecular weight of 274.45 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-[[2-(propylamino)cyclohexyl]methyl]aniline is sourced from PubChem (CID 63494623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).