1-(3,4-dimethylphenyl)-N-methyl-N'-pentyl-N'-propan-2-ylethane-1,2-diamine

C19H34N2 — CID 63468338

IUPAC1-(3,4-dimethylphenyl)-N-methyl-N'-pentyl-N'-propan-2-ylethane-1,2-diamine
SMILESCCCCCN(CC(NC)c1ccc(C)c(C)c1)C(C)C
InChIInChI=1S/C19H34N2/c1-7-8-9-12-21(15(2)3)14-19(20-6)18-11-10-16(4)17(5)13-18/h10-11,13,15,19-20H,7-9,12,14H2,1-6H3
InChIKeyORTIABSZKIOVPV-UHFFFAOYSA-N
MW290.50 g/mol
LogP4.46
Rot. Bonds9

About 1-(3,4-dimethylphenyl)-N-methyl-N'-pentyl-N'-propan-2-ylethane-1,2-diamine

1-(3,4-dimethylphenyl)-N-methyl-N'-pentyl-N'-propan-2-ylethane-1,2-diamine (PubChem CID 63468338) has the molecular formula C19H34N2 and a molecular weight of 290.50 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-N-methyl-N'-pentyl-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-N-methyl-N'-pentyl-N'-propan-2-ylethane-1,2-diamine
PubChem CID63468338
Molecular FormulaC19H34N2
Molecular Weight290.50 g/mol
Exact Mass290.27
IUPAC Name1-(3,4-dimethylphenyl)-N-methyl-N'-pentyl-N'-propan-2-ylethane-1,2-diamine
SMILESCCCCCN(CC(NC)c1ccc(C)c(C)c1)C(C)C
InChIInChI=1S/C19H34N2/c1-7-8-9-12-21(15(2)3)14-19(20-6)18-11-10-16(4)17(5)13-18/h10-11,13,15,19-20H,7-9,12,14H2,1-6H3
InChIKeyORTIABSZKIOVPV-UHFFFAOYSA-N
XLogP4.46
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.50
LogP ≤ 54.46
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

1-(3,4-dimethylphenyl)-N-methyl-2-(3-methylbutylsulfonyl)ethanamine
CID 107760365
1-(3,4-dimethylphenyl)-N-methyl-2-octan-2-yloxyethanamine
CID 63474755
1-(4-fluorophenyl)-N-methyl-N'-pentyl-N'-propan-2-ylpropane-1,3-diamine
CID 63493912
1-(3,4-dimethylphenyl)-N'-(2-ethoxyethyl)-N'-ethyl-N-methylethane-1,2-diamine
CID 63695773
1-(3,4-dimethylphenyl)-N'-(3-methoxypropyl)-N,N'-dimethylethane-1,2-diamine
CID 55139909
1-(3-fluorophenyl)-N-methyl-N'-pentyl-N'-propan-2-ylpropane-1,3-diamine
CID 63493726
N,2-dimethyl-N'-pentyl-1-phenyl-N'-propan-2-ylpropane-1,3-diamine
CID 63495953
(2R)-2-(3,4-dimethylphenyl)-2-(methylamino)ethanol
CID 93471271
1-(3,4-dimethylphenyl)-N'-methyl-N'-pentylethane-1,2-diamine
CID 43294808
N'-(2-methoxyethyl)-N-methyl-1-(4-methylphenyl)-N'-propan-2-ylethane-1,2-diamine
CID 82949092
1-(3,4-dimethylphenyl)-N,N'-dimethyl-N'-(2-methylphenyl)ethane-1,2-diamine
CID 63469119
N-[1-(3,4-dimethylphenyl)-2-propylsulfonylethyl]propan-1-amine
CID 64646093

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-N-methyl-N'-pentyl-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of 1-(3,4-dimethylphenyl)-N-methyl-N'-pentyl-N'-propan-2-ylethane-1,2-diamine (CID 63468338) is 1-(3,4-dimethylphenyl)-N-methyl-N'-pentyl-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-N-methyl-N'-pentyl-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for 1-(3,4-dimethylphenyl)-N-methyl-N'-pentyl-N'-propan-2-ylethane-1,2-diamine is CCCCCN(CC(NC)c1ccc(C)c(C)c1)C(C)C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-N-methyl-N'-pentyl-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is ORTIABSZKIOVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2/c1-7-8-9-12-21(15(2)3)14-19(20-6)18-11-10-16(4)17(5)13-18/h10-11,13,15,19-20H,7-9,12,14H2,1-6H3.
What are the key properties of 1-(3,4-dimethylphenyl)-N-methyl-N'-pentyl-N'-propan-2-ylethane-1,2-diamine?
1-(3,4-dimethylphenyl)-N-methyl-N'-pentyl-N'-propan-2-ylethane-1,2-diamine has a molecular weight of 290.50 g/mol, XLogP of 4.46, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-N-methyl-N'-pentyl-N'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 63468338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).