1-N,2-dimethyl-2-N-(4-propylphenyl)propane-1,2-diamine

C14H24N2 — CID 115132400

IUPAC1-N,2-dimethyl-2-N-(4-propylphenyl)propane-1,2-diamine
SMILESCCCc1ccc(NC(C)(C)CNC)cc1
InChIInChI=1S/C14H24N2/c1-5-6-12-7-9-13(10-8-12)16-14(2,3)11-15-4/h7-10,15-16H,5-6,11H2,1-4H3
InChIKeyMUJKURUHRNQNBA-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.05
Rot. Bonds6

About 1-N,2-dimethyl-2-N-(4-propylphenyl)propane-1,2-diamine

1-N,2-dimethyl-2-N-(4-propylphenyl)propane-1,2-diamine (PubChem CID 115132400) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 1-N,2-dimethyl-2-N-(4-propylphenyl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N,2-dimethyl-2-N-(4-propylphenyl)propane-1,2-diamine
PubChem CID115132400
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name1-N,2-dimethyl-2-N-(4-propylphenyl)propane-1,2-diamine
SMILESCCCc1ccc(NC(C)(C)CNC)cc1
InChIInChI=1S/C14H24N2/c1-5-6-12-7-9-13(10-8-12)16-14(2,3)11-15-4/h7-10,15-16H,5-6,11H2,1-4H3
InChIKeyMUJKURUHRNQNBA-UHFFFAOYSA-N
XLogP3.05
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-3-(4-propylanilino)butan-1-ol
CID 115133797
N-methyl-4-[(4-propylphenyl)methyl]aniline
CID 116926083
N-methyl-N'-[2-methyl-2-(4-propylphenyl)propyl]methanediamine
CID 115227465
N-methyl-1-(4-propylphenyl)methanamine
CID 20666221
1-N,2-dimethyl-2-N-(6-propylpyridazin-3-yl)propane-1,2-diamine
CID 116971625
1-propyl-4-[(4-propylphenyl)methyl]benzene
CID 4064340
ethane;N-methyl-1-(4-propylphenyl)methanamine
CID 176699852
ethane;N-methyl-2-(4-propylphenyl)ethanamine
CID 143565028
N-(propoxymethyl)-4-propylaniline
CID 162035789
N-[[1-(methylaminomethyl)cyclopropyl]methyl]-4-propylaniline
CID 115244481
2-tert-butyl-1-(4-propylphenyl)guanidine
CID 62378915
3,3-dimethyl-5-(4-propylphenyl)pentan-1-amine
CID 65300566

Frequently Asked Questions

What is the IUPAC name of 1-N,2-dimethyl-2-N-(4-propylphenyl)propane-1,2-diamine?
The IUPAC name of 1-N,2-dimethyl-2-N-(4-propylphenyl)propane-1,2-diamine (CID 115132400) is 1-N,2-dimethyl-2-N-(4-propylphenyl)propane-1,2-diamine.
What is the SMILES notation for 1-N,2-dimethyl-2-N-(4-propylphenyl)propane-1,2-diamine?
The canonical SMILES for 1-N,2-dimethyl-2-N-(4-propylphenyl)propane-1,2-diamine is CCCc1ccc(NC(C)(C)CNC)cc1.
What is the InChIKey of 1-N,2-dimethyl-2-N-(4-propylphenyl)propane-1,2-diamine?
The InChIKey is MUJKURUHRNQNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-5-6-12-7-9-13(10-8-12)16-14(2,3)11-15-4/h7-10,15-16H,5-6,11H2,1-4H3.
What are the key properties of 1-N,2-dimethyl-2-N-(4-propylphenyl)propane-1,2-diamine?
1-N,2-dimethyl-2-N-(4-propylphenyl)propane-1,2-diamine has a molecular weight of 220.36 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-dimethyl-2-N-(4-propylphenyl)propane-1,2-diamine is sourced from PubChem (CID 115132400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).