N,2-dimethyl-N-phenyl-N',2-dipropylpropane-1,3-diamine

C17H30N2 — CID 63483398

IUPACN,2-dimethyl-N-phenyl-N',2-dipropylpropane-1,3-diamine
SMILESCCCNCC(C)(CCC)CN(C)c1ccccc1
InChIInChI=1S/C17H30N2/c1-5-12-17(3,14-18-13-6-2)15-19(4)16-10-8-7-9-11-16/h7-11,18H,5-6,12-15H2,1-4H3
InChIKeyCCQOYSJBBNZZKO-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.93
Rot. Bonds9

About N,2-dimethyl-N-phenyl-N',2-dipropylpropane-1,3-diamine

N,2-dimethyl-N-phenyl-N',2-dipropylpropane-1,3-diamine (PubChem CID 63483398) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is N,2-dimethyl-N-phenyl-N',2-dipropylpropane-1,3-diamine.

Molecular Properties

Compound NameN,2-dimethyl-N-phenyl-N',2-dipropylpropane-1,3-diamine
PubChem CID63483398
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC NameN,2-dimethyl-N-phenyl-N',2-dipropylpropane-1,3-diamine
SMILESCCCNCC(C)(CCC)CN(C)c1ccccc1
InChIInChI=1S/C17H30N2/c1-5-12-17(3,14-18-13-6-2)15-19(4)16-10-8-7-9-11-16/h7-11,18H,5-6,12-15H2,1-4H3
InChIKeyCCQOYSJBBNZZKO-UHFFFAOYSA-N
XLogP3.93
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N,2-dimethyl-N-phenyl-N',2-dipropylpropane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethyl-N,2-dimethyl-N-phenyl-N'-propylpropane-1,3-diamine
CID 62261498
2-ethyl-N-(4-ethylphenyl)-N,2-dimethyl-N'-propylpropane-1,3-diamine
CID 63495384
N,2-dimethyl-N',2-dipropyl-N-(2-pyridin-2-ylethyl)propane-1,3-diamine
CID 62262340
N-tert-butyl-N',2-dimethyl-N'-(4-methylphenyl)-2-propylpropane-1,3-diamine
CID 63495185
N-(4-fluorophenyl)-N,N',2-trimethyl-2-propylpropane-1,3-diamine
CID 62258708
N,2-dimethyl-N-[(4-methylphenyl)methyl]-N',2-dipropylpropane-1,3-diamine
CID 63482171
N-(3,3-dimethylbutan-2-yl)-N,2-dimethyl-N',2-dipropylpropane-1,3-diamine
CID 63494582
N-(4-methoxyphenyl)-N,N',2-trimethyl-2-propylpropane-1,3-diamine
CID 62260445
2-[(2-fluorophenyl)methyl]-2-methyl-N-propylpentan-1-amine
CID 63509772
N-(4-methoxyphenyl)-N,2,2-trimethyl-N'-propylpropane-1,3-diamine
CID 62258901
N-benzyl-N,2-dimethyl-N'-(2-methylpropyl)-2-propylpropane-1,3-diamine
CID 63483776
2-[(2-methoxyphenyl)methyl]-2-methyl-N-propylpentan-1-amine
CID 62724215

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-phenyl-N',2-dipropylpropane-1,3-diamine?
The IUPAC name of N,2-dimethyl-N-phenyl-N',2-dipropylpropane-1,3-diamine (CID 63483398) is N,2-dimethyl-N-phenyl-N',2-dipropylpropane-1,3-diamine.
What is the SMILES notation for N,2-dimethyl-N-phenyl-N',2-dipropylpropane-1,3-diamine?
The canonical SMILES for N,2-dimethyl-N-phenyl-N',2-dipropylpropane-1,3-diamine is CCCNCC(C)(CCC)CN(C)c1ccccc1.
What is the InChIKey of N,2-dimethyl-N-phenyl-N',2-dipropylpropane-1,3-diamine?
The InChIKey is CCQOYSJBBNZZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-5-12-17(3,14-18-13-6-2)15-19(4)16-10-8-7-9-11-16/h7-11,18H,5-6,12-15H2,1-4H3.
What are the key properties of N,2-dimethyl-N-phenyl-N',2-dipropylpropane-1,3-diamine?
N,2-dimethyl-N-phenyl-N',2-dipropylpropane-1,3-diamine has a molecular weight of 262.44 g/mol, XLogP of 3.93, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-phenyl-N',2-dipropylpropane-1,3-diamine is sourced from PubChem (CID 63483398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).