2-N,3-dimethyl-2-N-[(4-methylphenyl)methyl]-1-N-propylbutane-1,2-diamine

C17H30N2 — CID 55070048

IUPAC2-N,3-dimethyl-2-N-[(4-methylphenyl)methyl]-1-N-propylbutane-1,2-diamine
SMILESCCCNCC(C(C)C)N(C)Cc1ccc(C)cc1
InChIInChI=1S/C17H30N2/c1-6-11-18-12-17(14(2)3)19(5)13-16-9-7-15(4)8-10-16/h7-10,14,17-18H,6,11-13H2,1-5H3
InChIKeyMZMMMEPXWOCJLI-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.45
Rot. Bonds8

About 2-N,3-dimethyl-2-N-[(4-methylphenyl)methyl]-1-N-propylbutane-1,2-diamine

2-N,3-dimethyl-2-N-[(4-methylphenyl)methyl]-1-N-propylbutane-1,2-diamine (PubChem CID 55070048) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 2-N,3-dimethyl-2-N-[(4-methylphenyl)methyl]-1-N-propylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N,3-dimethyl-2-N-[(4-methylphenyl)methyl]-1-N-propylbutane-1,2-diamine
PubChem CID55070048
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name2-N,3-dimethyl-2-N-[(4-methylphenyl)methyl]-1-N-propylbutane-1,2-diamine
SMILESCCCNCC(C(C)C)N(C)Cc1ccc(C)cc1
InChIInChI=1S/C17H30N2/c1-6-11-18-12-17(14(2)3)19(5)13-16-9-7-15(4)8-10-16/h7-10,14,17-18H,6,11-13H2,1-5H3
InChIKeyMZMMMEPXWOCJLI-UHFFFAOYSA-N
XLogP3.45
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.45
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

3-N,2-dimethyl-3-N-[(4-methylphenyl)methyl]-1-N-propylbutane-1,3-diamine
CID 79414500
2-N-[(2-methoxyphenyl)methyl]-2-N,3-dimethyl-1-N-propylbutane-1,2-diamine
CID 62437342
N,3-dimethyl-N-[[4-(propylaminomethyl)phenyl]methyl]butan-2-amine
CID 62434485
2-N,3-dimethyl-1-N-propyl-2-N-(1,3-thiazol-4-ylmethyl)butane-1,2-diamine
CID 62428614
2-N,2-N,3-trimethyl-1-N-[(4-methylphenyl)methyl]butane-1,2-diamine
CID 18804091
N-methyl-N-[[4-[1-(propylamino)propan-2-yl]phenyl]methyl]pentan-2-amine
CID 105347096
2-methyl-4-(4-methylphenyl)-N-propylbutan-1-amine
CID 64664775
2-N,3-dimethyl-1-N-(2-methylpropyl)-2-N-(pyridin-4-ylmethyl)butane-1,2-diamine
CID 55074332
1-N-tert-butyl-2-N-methyl-2-N-[(4-methylphenyl)methyl]propane-1,2-diamine
CID 62417488
3-methoxy-2-N-[(4-methoxyphenyl)methyl]-2-N-methyl-1-N-propylpropane-1,2-diamine
CID 103226082
3-ethyl-2-N-methyl-2-N-[(4-methylphenyl)methyl]pentane-1,2-diamine
CID 43102172
1-N-cyclopentyl-2-N-methyl-2-N-[(4-methylphenyl)methyl]propane-1,2-diamine
CID 62558539

Frequently Asked Questions

What is the IUPAC name of 2-N,3-dimethyl-2-N-[(4-methylphenyl)methyl]-1-N-propylbutane-1,2-diamine?
The IUPAC name of 2-N,3-dimethyl-2-N-[(4-methylphenyl)methyl]-1-N-propylbutane-1,2-diamine (CID 55070048) is 2-N,3-dimethyl-2-N-[(4-methylphenyl)methyl]-1-N-propylbutane-1,2-diamine.
What is the SMILES notation for 2-N,3-dimethyl-2-N-[(4-methylphenyl)methyl]-1-N-propylbutane-1,2-diamine?
The canonical SMILES for 2-N,3-dimethyl-2-N-[(4-methylphenyl)methyl]-1-N-propylbutane-1,2-diamine is CCCNCC(C(C)C)N(C)Cc1ccc(C)cc1.
What is the InChIKey of 2-N,3-dimethyl-2-N-[(4-methylphenyl)methyl]-1-N-propylbutane-1,2-diamine?
The InChIKey is MZMMMEPXWOCJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-6-11-18-12-17(14(2)3)19(5)13-16-9-7-15(4)8-10-16/h7-10,14,17-18H,6,11-13H2,1-5H3.
What are the key properties of 2-N,3-dimethyl-2-N-[(4-methylphenyl)methyl]-1-N-propylbutane-1,2-diamine?
2-N,3-dimethyl-2-N-[(4-methylphenyl)methyl]-1-N-propylbutane-1,2-diamine has a molecular weight of 262.44 g/mol, XLogP of 3.45, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,3-dimethyl-2-N-[(4-methylphenyl)methyl]-1-N-propylbutane-1,2-diamine is sourced from PubChem (CID 55070048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).