N-methyl-N-pentyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine

C17H30N2 — CID 43294622

IUPACN-methyl-N-pentyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine
SMILESCCCCCN(C)C(CN)c1c(C)cc(C)cc1C
InChIInChI=1S/C17H30N2/c1-6-7-8-9-19(5)16(12-18)17-14(3)10-13(2)11-15(17)4/h10-11,16H,6-9,12,18H2,1-5H3
InChIKeyVGMFNHYMIZDFPJ-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.73
Rot. Bonds7

About N-methyl-N-pentyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine

N-methyl-N-pentyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine (PubChem CID 43294622) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is N-methyl-N-pentyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-N-pentyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine
PubChem CID43294622
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC NameN-methyl-N-pentyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine
SMILESCCCCCN(C)C(CN)c1c(C)cc(C)cc1C
InChIInChI=1S/C17H30N2/c1-6-7-8-9-19(5)16(12-18)17-14(3)10-13(2)11-15(17)4/h10-11,16H,6-9,12,18H2,1-5H3
InChIKeyVGMFNHYMIZDFPJ-UHFFFAOYSA-N
XLogP3.73
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-N-methyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 43176157
1-(3-bromo-4-methylphenyl)-N-methyl-N-pentylethane-1,2-diamine
CID 105404728
1-(3,5-dichlorophenyl)-N-methyl-N-pentylethane-1,2-diamine
CID 54919770
N-methyl-N-pentyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
CID 43294635
N-methyl-1-(5-methylthiophen-2-yl)-N-pentylethane-1,2-diamine
CID 43294656
1-(furan-3-yl)-N-methyl-N-pentylethane-1,2-diamine
CID 63208199
1-(3,5-dimethylphenyl)-N-pentyl-N-propan-2-ylethane-1,2-diamine
CID 63473286
1-(2,4,6-trimethylphenyl)heptan-1-amine
CID 114752275
N,N,3-trimethyl-1-(2,4,6-trimethylphenyl)butane-1,4-diamine
CID 116905466
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 63275722
1-(3,5-dimethylphenyl)-N-(3-methoxypropyl)-N-methylethane-1,2-diamine
CID 62984275
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-methyl-N-pentylethane-1,2-diamine
CID 60869742

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-pentyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine?
The IUPAC name of N-methyl-N-pentyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine (CID 43294622) is N-methyl-N-pentyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-methyl-N-pentyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine?
The canonical SMILES for N-methyl-N-pentyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine is CCCCCN(C)C(CN)c1c(C)cc(C)cc1C.
What is the InChIKey of N-methyl-N-pentyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine?
The InChIKey is VGMFNHYMIZDFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-6-7-8-9-19(5)16(12-18)17-14(3)10-13(2)11-15(17)4/h10-11,16H,6-9,12,18H2,1-5H3.
What are the key properties of N-methyl-N-pentyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine?
N-methyl-N-pentyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine has a molecular weight of 262.44 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-pentyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 43294622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).