N'-methyl-1-(2-methylphenyl)-N'-(2-methylpropyl)propane-1,3-diamine

C15H26N2 — CID 62629061

IUPACN'-methyl-1-(2-methylphenyl)-N'-(2-methylpropyl)propane-1,3-diamine
SMILESCc1ccccc1C(N)CCN(C)CC(C)C
InChIInChI=1S/C15H26N2/c1-12(2)11-17(4)10-9-15(16)14-8-6-5-7-13(14)3/h5-8,12,15H,9-11,16H2,1-4H3
InChIKeyVYDKNZANUSJWHQ-UHFFFAOYSA-N
MW234.39 g/mol
LogP2.97
Rot. Bonds6

About N'-methyl-1-(2-methylphenyl)-N'-(2-methylpropyl)propane-1,3-diamine

N'-methyl-1-(2-methylphenyl)-N'-(2-methylpropyl)propane-1,3-diamine (PubChem CID 62629061) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is N'-methyl-1-(2-methylphenyl)-N'-(2-methylpropyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-methyl-1-(2-methylphenyl)-N'-(2-methylpropyl)propane-1,3-diamine
PubChem CID62629061
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC NameN'-methyl-1-(2-methylphenyl)-N'-(2-methylpropyl)propane-1,3-diamine
SMILESCc1ccccc1C(N)CCN(C)CC(C)C
InChIInChI=1S/C15H26N2/c1-12(2)11-17(4)10-9-15(16)14-8-6-5-7-13(14)3/h5-8,12,15H,9-11,16H2,1-4H3
InChIKeyVYDKNZANUSJWHQ-UHFFFAOYSA-N
XLogP2.97
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromophenyl)-N'-methyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 55098747
(1S)-4-methyl-1-(2-methylphenyl)pentan-1-amine;hydrochloride
CID 171229467
N'-methyl-1-(2-methylphenyl)-N'-(2-phenylethyl)propane-1,3-diamine
CID 65488249
N'-cyclopropyl-N'-methyl-1-(2-methylphenyl)propane-1,3-diamine
CID 62630764
N',N'-dimethyl-1-(2-methylphenyl)ethane-1,2-diamine
CID 16782044
1-(2-methylphenyl)-N',N'-dipropylpropane-1,3-diamine
CID 55098115
N'-methyl-N'-(2-methylbutyl)-1-(2-methylphenyl)ethane-1,2-diamine
CID 43295706
N'-methyl-N'-(4-methylpentan-2-yl)-1-(2-methylphenyl)ethane-1,2-diamine
CID 55001596
1-(2-fluorophenyl)-N'-methyl-N'-(3-methylbutyl)ethane-1,2-diamine
CID 114058268
N'-methyl-1-(2-methylphenyl)-N'-(2-methylsulfonylethyl)ethane-1,2-diamine
CID 79850524
2-(3-methylbutoxy)-1-(2-methylphenyl)ethanamine
CID 43184265
N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]-1-(2-methylphenyl)propane-1,3-diamine
CID 63025144

Frequently Asked Questions

What is the IUPAC name of N'-methyl-1-(2-methylphenyl)-N'-(2-methylpropyl)propane-1,3-diamine?
The IUPAC name of N'-methyl-1-(2-methylphenyl)-N'-(2-methylpropyl)propane-1,3-diamine (CID 62629061) is N'-methyl-1-(2-methylphenyl)-N'-(2-methylpropyl)propane-1,3-diamine.
What is the SMILES notation for N'-methyl-1-(2-methylphenyl)-N'-(2-methylpropyl)propane-1,3-diamine?
The canonical SMILES for N'-methyl-1-(2-methylphenyl)-N'-(2-methylpropyl)propane-1,3-diamine is Cc1ccccc1C(N)CCN(C)CC(C)C.
What is the InChIKey of N'-methyl-1-(2-methylphenyl)-N'-(2-methylpropyl)propane-1,3-diamine?
The InChIKey is VYDKNZANUSJWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-12(2)11-17(4)10-9-15(16)14-8-6-5-7-13(14)3/h5-8,12,15H,9-11,16H2,1-4H3.
What are the key properties of N'-methyl-1-(2-methylphenyl)-N'-(2-methylpropyl)propane-1,3-diamine?
N'-methyl-1-(2-methylphenyl)-N'-(2-methylpropyl)propane-1,3-diamine has a molecular weight of 234.39 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-1-(2-methylphenyl)-N'-(2-methylpropyl)propane-1,3-diamine is sourced from PubChem (CID 62629061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).