N'-ethyl-N-methyl-N-(3-methylbutyl)-1-phenylethane-1,2-diamine

C16H28N2 — CID 55072043

IUPACN'-ethyl-N-methyl-N-(3-methylbutyl)-1-phenylethane-1,2-diamine
SMILESCCNCC(c1ccccc1)N(C)CCC(C)C
InChIInChI=1S/C16H28N2/c1-5-17-13-16(15-9-7-6-8-10-15)18(4)12-11-14(2)3/h6-10,14,16-17H,5,11-13H2,1-4H3
InChIKeyAHNZOVQAZMGHKH-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.32
Rot. Bonds8

About N'-ethyl-N-methyl-N-(3-methylbutyl)-1-phenylethane-1,2-diamine

N'-ethyl-N-methyl-N-(3-methylbutyl)-1-phenylethane-1,2-diamine (PubChem CID 55072043) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is N'-ethyl-N-methyl-N-(3-methylbutyl)-1-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N-methyl-N-(3-methylbutyl)-1-phenylethane-1,2-diamine
PubChem CID55072043
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC NameN'-ethyl-N-methyl-N-(3-methylbutyl)-1-phenylethane-1,2-diamine
SMILESCCNCC(c1ccccc1)N(C)CCC(C)C
InChIInChI=1S/C16H28N2/c1-5-17-13-16(15-9-7-6-8-10-15)18(4)12-11-14(2)3/h6-10,14,16-17H,5,11-13H2,1-4H3
InChIKeyAHNZOVQAZMGHKH-UHFFFAOYSA-N
XLogP3.32
TPSA15.27 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 ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N'-dimethyl-N-(3-methylbutyl)-1-phenylethane-1,2-diamine
CID 62462209
N'-ethyl-N-methyl-1-phenyl-N-(2-phenylethyl)ethane-1,2-diamine
CID 65488464
N-butyl-N-methyl-N'-(2-methylpropyl)-1-phenylethane-1,2-diamine
CID 55070032
N'-ethyl-1-phenyl-N,N-dipropylethane-1,2-diamine
CID 62425629
N,N'-diethyl-1-phenyl-N-propylethane-1,2-diamine
CID 55074782
N-[(4-chlorophenyl)methyl]-N'-ethyl-N-methyl-1-phenylethane-1,2-diamine
CID 62413056
N-(cyclopentylmethyl)-N'-ethyl-N-methyl-1-phenylethane-1,2-diamine
CID 63655923
N,N'-dimethyl-1-phenyl-N-propylethane-1,2-diamine
CID 62417944
N-ethyl-N-methyl-1-phenyl-N'-propylethane-1,2-diamine
CID 62419505
N-butan-2-yl-N-methyl-N'-(2-methylpropyl)-1-phenylethane-1,2-diamine
CID 62417159
N-butyl-N,N'-dimethyl-1-phenylethane-1,2-diamine
CID 62424581
2-[methyl(3-methylbutyl)amino]-2-phenylacetohydrazide
CID 63578760

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N-methyl-N-(3-methylbutyl)-1-phenylethane-1,2-diamine?
The IUPAC name of N'-ethyl-N-methyl-N-(3-methylbutyl)-1-phenylethane-1,2-diamine (CID 55072043) is N'-ethyl-N-methyl-N-(3-methylbutyl)-1-phenylethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N-methyl-N-(3-methylbutyl)-1-phenylethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N-methyl-N-(3-methylbutyl)-1-phenylethane-1,2-diamine is CCNCC(c1ccccc1)N(C)CCC(C)C.
What is the InChIKey of N'-ethyl-N-methyl-N-(3-methylbutyl)-1-phenylethane-1,2-diamine?
The InChIKey is AHNZOVQAZMGHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-5-17-13-16(15-9-7-6-8-10-15)18(4)12-11-14(2)3/h6-10,14,16-17H,5,11-13H2,1-4H3.
What are the key properties of N'-ethyl-N-methyl-N-(3-methylbutyl)-1-phenylethane-1,2-diamine?
N'-ethyl-N-methyl-N-(3-methylbutyl)-1-phenylethane-1,2-diamine has a molecular weight of 248.41 g/mol, XLogP of 3.32, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N-methyl-N-(3-methylbutyl)-1-phenylethane-1,2-diamine is sourced from PubChem (CID 55072043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).