1-(3,5-dimethylphenyl)-N-(2-methylpropyl)-N-pentan-3-ylethane-1,2-diamine

C19H34N2 — CID 79490465

IUPAC1-(3,5-dimethylphenyl)-N-(2-methylpropyl)-N-pentan-3-ylethane-1,2-diamine
SMILESCCC(CC)N(CC(C)C)C(CN)c1cc(C)cc(C)c1
InChIInChI=1S/C19H34N2/c1-7-18(8-2)21(13-14(3)4)19(12-20)17-10-15(5)9-16(6)11-17/h9-11,14,18-19H,7-8,12-13,20H2,1-6H3
InChIKeyZIKJNVQENVYKFO-UHFFFAOYSA-N
MW290.50 g/mol
LogP4.45
Rot. Bonds8

About 1-(3,5-dimethylphenyl)-N-(2-methylpropyl)-N-pentan-3-ylethane-1,2-diamine

1-(3,5-dimethylphenyl)-N-(2-methylpropyl)-N-pentan-3-ylethane-1,2-diamine (PubChem CID 79490465) has the molecular formula C19H34N2 and a molecular weight of 290.50 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-N-(2-methylpropyl)-N-pentan-3-ylethane-1,2-diamine.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-N-(2-methylpropyl)-N-pentan-3-ylethane-1,2-diamine
PubChem CID79490465
Molecular FormulaC19H34N2
Molecular Weight290.50 g/mol
Exact Mass290.27
IUPAC Name1-(3,5-dimethylphenyl)-N-(2-methylpropyl)-N-pentan-3-ylethane-1,2-diamine
SMILESCCC(CC)N(CC(C)C)C(CN)c1cc(C)cc(C)c1
InChIInChI=1S/C19H34N2/c1-7-18(8-2)21(13-14(3)4)19(12-20)17-10-15(5)9-16(6)11-17/h9-11,14,18-19H,7-8,12-13,20H2,1-6H3
InChIKeyZIKJNVQENVYKFO-UHFFFAOYSA-N
XLogP4.45
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.50
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-N-(2-methylpropyl)-N-pentan-3-ylethane-1,2-diamine?
The IUPAC name of 1-(3,5-dimethylphenyl)-N-(2-methylpropyl)-N-pentan-3-ylethane-1,2-diamine (CID 79490465) is 1-(3,5-dimethylphenyl)-N-(2-methylpropyl)-N-pentan-3-ylethane-1,2-diamine.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-N-(2-methylpropyl)-N-pentan-3-ylethane-1,2-diamine?
The canonical SMILES for 1-(3,5-dimethylphenyl)-N-(2-methylpropyl)-N-pentan-3-ylethane-1,2-diamine is CCC(CC)N(CC(C)C)C(CN)c1cc(C)cc(C)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-N-(2-methylpropyl)-N-pentan-3-ylethane-1,2-diamine?
The InChIKey is ZIKJNVQENVYKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2/c1-7-18(8-2)21(13-14(3)4)19(12-20)17-10-15(5)9-16(6)11-17/h9-11,14,18-19H,7-8,12-13,20H2,1-6H3.
What are the key properties of 1-(3,5-dimethylphenyl)-N-(2-methylpropyl)-N-pentan-3-ylethane-1,2-diamine?
1-(3,5-dimethylphenyl)-N-(2-methylpropyl)-N-pentan-3-ylethane-1,2-diamine has a molecular weight of 290.50 g/mol, XLogP of 4.45, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-N-(2-methylpropyl)-N-pentan-3-ylethane-1,2-diamine is sourced from PubChem (CID 79490465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).