N'-methyl-N'-(3-methylbutyl)-1-(4-methylphenyl)propane-1,3-diamine

C16H28N2 — CID 62619830

IUPACN'-methyl-N'-(3-methylbutyl)-1-(4-methylphenyl)propane-1,3-diamine
SMILESCc1ccc(C(N)CCN(C)CCC(C)C)cc1
InChIInChI=1S/C16H28N2/c1-13(2)9-11-18(4)12-10-16(17)15-7-5-14(3)6-8-15/h5-8,13,16H,9-12,17H2,1-4H3
InChIKeyMMYDZXOJRWZUFE-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.36
Rot. Bonds7

About N'-methyl-N'-(3-methylbutyl)-1-(4-methylphenyl)propane-1,3-diamine

N'-methyl-N'-(3-methylbutyl)-1-(4-methylphenyl)propane-1,3-diamine (PubChem CID 62619830) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is N'-methyl-N'-(3-methylbutyl)-1-(4-methylphenyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-methyl-N'-(3-methylbutyl)-1-(4-methylphenyl)propane-1,3-diamine
PubChem CID62619830
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC NameN'-methyl-N'-(3-methylbutyl)-1-(4-methylphenyl)propane-1,3-diamine
SMILESCc1ccc(C(N)CCN(C)CCC(C)C)cc1
InChIInChI=1S/C16H28N2/c1-13(2)9-11-18(4)12-10-16(17)15-7-5-14(3)6-8-15/h5-8,13,16H,9-12,17H2,1-4H3
InChIKeyMMYDZXOJRWZUFE-UHFFFAOYSA-N
XLogP3.36
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-methyl-1-(4-methylphenyl)-N'-propan-2-ylpropane-1,3-diamine
CID 62617690
N'-[(4-chlorophenyl)methyl]-N'-methyl-1-(4-methylphenyl)propane-1,3-diamine
CID 62617601
N',N'-diethyl-1-(4-methylphenyl)propane-1,3-diamine
CID 62619570
2-[[3-amino-3-(4-methylphenyl)propyl]-methylamino]-2-methylpropan-1-ol
CID 113476393
1-(4-methylphenyl)-N',N'-bis(prop-2-enyl)propane-1,3-diamine
CID 62618903
N'-ethyl-N'-(2-methylbutyl)-1-(4-methylphenyl)propane-1,3-diamine
CID 79481346
1-(4-bromophenyl)-N'-methyl-N'-propylpropane-1,3-diamine
CID 62619765
N'-[2-amino-2-(4-methylphenyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63695196
1-[(3-amino-3-phenylpropyl)-methylamino]propan-2-ol
CID 62613948
N'-methyl-1-(4-methylphenyl)-N'-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 106313125
1-(4-bromophenyl)-N'-cyclopropyl-N'-(3-methylbutyl)propane-1,3-diamine
CID 78991257
N'-methyl-1-(4-methylphenyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 60892131

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-(3-methylbutyl)-1-(4-methylphenyl)propane-1,3-diamine?
The IUPAC name of N'-methyl-N'-(3-methylbutyl)-1-(4-methylphenyl)propane-1,3-diamine (CID 62619830) is N'-methyl-N'-(3-methylbutyl)-1-(4-methylphenyl)propane-1,3-diamine.
What is the SMILES notation for N'-methyl-N'-(3-methylbutyl)-1-(4-methylphenyl)propane-1,3-diamine?
The canonical SMILES for N'-methyl-N'-(3-methylbutyl)-1-(4-methylphenyl)propane-1,3-diamine is Cc1ccc(C(N)CCN(C)CCC(C)C)cc1.
What is the InChIKey of N'-methyl-N'-(3-methylbutyl)-1-(4-methylphenyl)propane-1,3-diamine?
The InChIKey is MMYDZXOJRWZUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-13(2)9-11-18(4)12-10-16(17)15-7-5-14(3)6-8-15/h5-8,13,16H,9-12,17H2,1-4H3.
What are the key properties of N'-methyl-N'-(3-methylbutyl)-1-(4-methylphenyl)propane-1,3-diamine?
N'-methyl-N'-(3-methylbutyl)-1-(4-methylphenyl)propane-1,3-diamine has a molecular weight of 248.41 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-(3-methylbutyl)-1-(4-methylphenyl)propane-1,3-diamine is sourced from PubChem (CID 62619830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).