N'-butyl-N'-methyl-1-(4-propylphenyl)ethane-1,2-diamine

C16H28N2 — CID 43105672

IUPACN'-butyl-N'-methyl-1-(4-propylphenyl)ethane-1,2-diamine
SMILESCCCCN(C)CC(N)c1ccc(CCC)cc1
InChIInChI=1S/C16H28N2/c1-4-6-12-18(3)13-16(17)15-10-8-14(7-5-2)9-11-15/h8-11,16H,4-7,12-13,17H2,1-3H3
InChIKeyZMHMDKZLOOJKKU-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.37
Rot. Bonds8

About N'-butyl-N'-methyl-1-(4-propylphenyl)ethane-1,2-diamine

N'-butyl-N'-methyl-1-(4-propylphenyl)ethane-1,2-diamine (PubChem CID 43105672) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is N'-butyl-N'-methyl-1-(4-propylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-butyl-N'-methyl-1-(4-propylphenyl)ethane-1,2-diamine
PubChem CID43105672
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC NameN'-butyl-N'-methyl-1-(4-propylphenyl)ethane-1,2-diamine
SMILESCCCCN(C)CC(N)c1ccc(CCC)cc1
InChIInChI=1S/C16H28N2/c1-4-6-12-18(3)13-16(17)15-10-8-14(7-5-2)9-11-15/h8-11,16H,4-7,12-13,17H2,1-3H3
InChIKeyZMHMDKZLOOJKKU-UHFFFAOYSA-N
XLogP3.37
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-methyl-N'-(2-methylbutyl)-1-(4-propylphenyl)ethane-1,2-diamine
CID 43295696
N'-methyl-N'-(3-methylbutan-2-yl)-1-(4-propylphenyl)ethane-1,2-diamine
CID 43569993
N'-propan-2-yl-N'-propyl-1-(4-propylphenyl)ethane-1,2-diamine
CID 43269507
1-(4-ethoxyphenyl)-N'-methyl-N'-pentylethane-1,2-diamine
CID 43294826
1-(3,4-dimethylphenyl)-N'-methyl-N'-pentylethane-1,2-diamine
CID 43294808
N'-ethyl-N'-(2-methylpropyl)-1-(4-propylphenyl)ethane-1,2-diamine
CID 43273668
N'-cyclohexyl-N'-methyl-1-(4-propylphenyl)ethane-1,2-diamine
CID 43099891
N'-cyclopropyl-N'-propyl-1-(4-propylphenyl)ethane-1,2-diamine
CID 43270345
N'-(1-methoxypropan-2-yl)-N'-methyl-1-(4-propylphenyl)ethane-1,2-diamine
CID 61451468
N'-[2-amino-2-(4-methylphenyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63695196
N'-cyclopropyl-N'-ethyl-1-(4-propylphenyl)ethane-1,2-diamine
CID 43264141
2-N,2-N,2-trimethyl-1-(4-propylphenyl)propane-1,2-diamine
CID 79054269

Frequently Asked Questions

What is the IUPAC name of N'-butyl-N'-methyl-1-(4-propylphenyl)ethane-1,2-diamine?
The IUPAC name of N'-butyl-N'-methyl-1-(4-propylphenyl)ethane-1,2-diamine (CID 43105672) is N'-butyl-N'-methyl-1-(4-propylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-butyl-N'-methyl-1-(4-propylphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-butyl-N'-methyl-1-(4-propylphenyl)ethane-1,2-diamine is CCCCN(C)CC(N)c1ccc(CCC)cc1.
What is the InChIKey of N'-butyl-N'-methyl-1-(4-propylphenyl)ethane-1,2-diamine?
The InChIKey is ZMHMDKZLOOJKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-4-6-12-18(3)13-16(17)15-10-8-14(7-5-2)9-11-15/h8-11,16H,4-7,12-13,17H2,1-3H3.
What are the key properties of N'-butyl-N'-methyl-1-(4-propylphenyl)ethane-1,2-diamine?
N'-butyl-N'-methyl-1-(4-propylphenyl)ethane-1,2-diamine has a molecular weight of 248.41 g/mol, XLogP of 3.37, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butyl-N'-methyl-1-(4-propylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 43105672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).