N-tert-butyl-N',2-dimethyl-N'-(4-methylphenyl)-2-propylpropane-1,3-diamine

C19H34N2 — CID 63495185

IUPACN-tert-butyl-N',2-dimethyl-N'-(4-methylphenyl)-2-propylpropane-1,3-diamine
SMILESCCCC(C)(CNC(C)(C)C)CN(C)c1ccc(C)cc1
InChIInChI=1S/C19H34N2/c1-8-13-19(6,14-20-18(3,4)5)15-21(7)17-11-9-16(2)10-12-17/h9-12,20H,8,13-15H2,1-7H3
InChIKeyCAQFRJMOVJVFRR-UHFFFAOYSA-N
MW290.50 g/mol
LogP4.63
Rot. Bonds7

About N-tert-butyl-N',2-dimethyl-N'-(4-methylphenyl)-2-propylpropane-1,3-diamine

N-tert-butyl-N',2-dimethyl-N'-(4-methylphenyl)-2-propylpropane-1,3-diamine (PubChem CID 63495185) has the molecular formula C19H34N2 and a molecular weight of 290.50 g/mol. Its IUPAC name is N-tert-butyl-N',2-dimethyl-N'-(4-methylphenyl)-2-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN-tert-butyl-N',2-dimethyl-N'-(4-methylphenyl)-2-propylpropane-1,3-diamine
PubChem CID63495185
Molecular FormulaC19H34N2
Molecular Weight290.50 g/mol
Exact Mass290.27
IUPAC NameN-tert-butyl-N',2-dimethyl-N'-(4-methylphenyl)-2-propylpropane-1,3-diamine
SMILESCCCC(C)(CNC(C)(C)C)CN(C)c1ccc(C)cc1
InChIInChI=1S/C19H34N2/c1-8-13-19(6,14-20-18(3,4)5)15-21(7)17-11-9-16(2)10-12-17/h9-12,20H,8,13-15H2,1-7H3
InChIKeyCAQFRJMOVJVFRR-UHFFFAOYSA-N
XLogP4.63
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.50
LogP ≤ 54.63
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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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N',2-dimethyl-N'-(4-methylphenyl)-2-propylpropane-1,3-diamine?
The IUPAC name of N-tert-butyl-N',2-dimethyl-N'-(4-methylphenyl)-2-propylpropane-1,3-diamine (CID 63495185) is N-tert-butyl-N',2-dimethyl-N'-(4-methylphenyl)-2-propylpropane-1,3-diamine.
What is the SMILES notation for N-tert-butyl-N',2-dimethyl-N'-(4-methylphenyl)-2-propylpropane-1,3-diamine?
The canonical SMILES for N-tert-butyl-N',2-dimethyl-N'-(4-methylphenyl)-2-propylpropane-1,3-diamine is CCCC(C)(CNC(C)(C)C)CN(C)c1ccc(C)cc1.
What is the InChIKey of N-tert-butyl-N',2-dimethyl-N'-(4-methylphenyl)-2-propylpropane-1,3-diamine?
The InChIKey is CAQFRJMOVJVFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2/c1-8-13-19(6,14-20-18(3,4)5)15-21(7)17-11-9-16(2)10-12-17/h9-12,20H,8,13-15H2,1-7H3.
What are the key properties of N-tert-butyl-N',2-dimethyl-N'-(4-methylphenyl)-2-propylpropane-1,3-diamine?
N-tert-butyl-N',2-dimethyl-N'-(4-methylphenyl)-2-propylpropane-1,3-diamine has a molecular weight of 290.50 g/mol, XLogP of 4.63, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N',2-dimethyl-N'-(4-methylphenyl)-2-propylpropane-1,3-diamine is sourced from PubChem (CID 63495185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).