N-methyl-N'-[2-methyl-2-(4-propylphenyl)propyl]methanediamine

C15H26N2 — CID 115227465

IUPACN-methyl-N'-[2-methyl-2-(4-propylphenyl)propyl]methanediamine
SMILESCCCc1ccc(C(C)(C)CNCNC)cc1
InChIInChI=1S/C15H26N2/c1-5-6-13-7-9-14(10-8-13)15(2,3)11-17-12-16-4/h7-10,16-17H,5-6,11-12H2,1-4H3
InChIKeyPYUGWUVIPRTFIK-UHFFFAOYSA-N
MW234.39 g/mol
LogP2.68
Rot. Bonds7

About N-methyl-N'-[2-methyl-2-(4-propylphenyl)propyl]methanediamine

N-methyl-N'-[2-methyl-2-(4-propylphenyl)propyl]methanediamine (PubChem CID 115227465) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is N-methyl-N'-[2-methyl-2-(4-propylphenyl)propyl]methanediamine.

Molecular Properties

Compound NameN-methyl-N'-[2-methyl-2-(4-propylphenyl)propyl]methanediamine
PubChem CID115227465
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC NameN-methyl-N'-[2-methyl-2-(4-propylphenyl)propyl]methanediamine
SMILESCCCc1ccc(C(C)(C)CNCNC)cc1
InChIInChI=1S/C15H26N2/c1-5-6-13-7-9-14(10-8-13)15(2,3)11-17-12-16-4/h7-10,16-17H,5-6,11-12H2,1-4H3
InChIKeyPYUGWUVIPRTFIK-UHFFFAOYSA-N
XLogP2.68
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-methyl-N'-[2-methyl-2-(4-propylphenyl)propyl]methanediamine 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

N'-[2-methyl-2-(4-propylphenyl)propyl]ethane-1,2-diamine
CID 115195580
N'-[2-(4-ethoxyphenyl)-2-methylpropyl]-N-methylmethanediamine
CID 115227480
N-[2-methyl-2-(4-propylphenyl)propyl]carbamoyl bromide
CID 115194217
N'-[2-(4-tert-butylphenyl)ethyl]-N-methylmethanediamine
CID 115227117
1-(4-chloro-2-methylbutan-2-yl)-4-propylbenzene
CID 79837445
1-cyano-N-[2-methyl-2-(4-propylphenyl)propyl]formamide
CID 115172771
1-N,2-dimethyl-2-N-(4-propylphenyl)propane-1,2-diamine
CID 115132400
N-methyl-1-(4-propylphenyl)methanamine
CID 20666221
N-[2-methyl-2-(4-propylphenyl)propyl]pyrrolidin-3-amine
CID 115119176
2-fluoro-2-(4-propylphenyl)propanal
CID 105448168
3,3-difluoro-N-methyl-3-(4-propylphenyl)propan-1-amine
CID 116838654
1-propyl-4-[(4-propylphenyl)methyl]benzene
CID 4064340

Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-[2-methyl-2-(4-propylphenyl)propyl]methanediamine?
The IUPAC name of N-methyl-N'-[2-methyl-2-(4-propylphenyl)propyl]methanediamine (CID 115227465) is N-methyl-N'-[2-methyl-2-(4-propylphenyl)propyl]methanediamine.
What is the SMILES notation for N-methyl-N'-[2-methyl-2-(4-propylphenyl)propyl]methanediamine?
The canonical SMILES for N-methyl-N'-[2-methyl-2-(4-propylphenyl)propyl]methanediamine is CCCc1ccc(C(C)(C)CNCNC)cc1.
What is the InChIKey of N-methyl-N'-[2-methyl-2-(4-propylphenyl)propyl]methanediamine?
The InChIKey is PYUGWUVIPRTFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-5-6-13-7-9-14(10-8-13)15(2,3)11-17-12-16-4/h7-10,16-17H,5-6,11-12H2,1-4H3.
What are the key properties of N-methyl-N'-[2-methyl-2-(4-propylphenyl)propyl]methanediamine?
N-methyl-N'-[2-methyl-2-(4-propylphenyl)propyl]methanediamine has a molecular weight of 234.39 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-[2-methyl-2-(4-propylphenyl)propyl]methanediamine is sourced from PubChem (CID 115227465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).