2-N-ethyl-2-N-(2-ethylbutyl)-1-phenylbutane-1,2-diamine

C18H32N2 — CID 63467588

IUPAC2-N-ethyl-2-N-(2-ethylbutyl)-1-phenylbutane-1,2-diamine
SMILESCCC(CC)CN(CC)C(CC)C(N)c1ccccc1
InChIInChI=1S/C18H32N2/c1-5-15(6-2)14-20(8-4)17(7-3)18(19)16-12-10-9-11-13-16/h9-13,15,17-18H,5-8,14,19H2,1-4H3
InChIKeyROBHNZFHCZDFFV-UHFFFAOYSA-N
MW276.47 g/mol
LogP4.22
Rot. Bonds9

About 2-N-ethyl-2-N-(2-ethylbutyl)-1-phenylbutane-1,2-diamine

2-N-ethyl-2-N-(2-ethylbutyl)-1-phenylbutane-1,2-diamine (PubChem CID 63467588) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is 2-N-ethyl-2-N-(2-ethylbutyl)-1-phenylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-2-N-(2-ethylbutyl)-1-phenylbutane-1,2-diamine
PubChem CID63467588
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC Name2-N-ethyl-2-N-(2-ethylbutyl)-1-phenylbutane-1,2-diamine
SMILESCCC(CC)CN(CC)C(CC)C(N)c1ccccc1
InChIInChI=1S/C18H32N2/c1-5-15(6-2)14-20(8-4)17(7-3)18(19)16-12-10-9-11-13-16/h9-13,15,17-18H,5-8,14,19H2,1-4H3
InChIKeyROBHNZFHCZDFFV-UHFFFAOYSA-N
XLogP4.22
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-ethyl-2-N-(2-ethylbutyl)-1-phenylpropane-1,2-diamine
CID 61436521
N'-butan-2-yl-N'-ethyl-2-methyl-1-phenylpropane-1,3-diamine
CID 62617195
2-N,2-N-diethyl-1-phenylpropane-1,2-diamine
CID 16784984
2-N-methyl-1-phenyl-2-N-propan-2-ylbutane-1,2-diamine
CID 43211372
2-[ethyl(2-ethylbutyl)amino]-2-phenylacetic acid
CID 61436697
2-N-ethyl-2-N-(2-methylpropyl)-1-phenylpropane-1,2-diamine
CID 43273646
3-[ethyl(2-ethylbutyl)amino]-3-phenylpropanoic acid
CID 63074344
2-N-ethyl-2-N-(2-ethylbutyl)-1-(4-ethylphenyl)propane-1,2-diamine
CID 63469585
N'-ethyl-1,2-diphenyl-N'-propylethane-1,2-diamine
CID 43268684
N'-ethyl-N'-(1-methoxypropan-2-yl)-2-methyl-1-phenylpropane-1,3-diamine
CID 62618075
2-N-[3-(dimethylamino)propyl]-2-N-methyl-1-phenylbutane-1,2-diamine
CID 63695372
2-N-methyl-1-phenyl-2-N-(2-phenylethyl)butane-1,2-diamine
CID 65487407

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-2-N-(2-ethylbutyl)-1-phenylbutane-1,2-diamine?
The IUPAC name of 2-N-ethyl-2-N-(2-ethylbutyl)-1-phenylbutane-1,2-diamine (CID 63467588) is 2-N-ethyl-2-N-(2-ethylbutyl)-1-phenylbutane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-2-N-(2-ethylbutyl)-1-phenylbutane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-2-N-(2-ethylbutyl)-1-phenylbutane-1,2-diamine is CCC(CC)CN(CC)C(CC)C(N)c1ccccc1.
What is the InChIKey of 2-N-ethyl-2-N-(2-ethylbutyl)-1-phenylbutane-1,2-diamine?
The InChIKey is ROBHNZFHCZDFFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-5-15(6-2)14-20(8-4)17(7-3)18(19)16-12-10-9-11-13-16/h9-13,15,17-18H,5-8,14,19H2,1-4H3.
What are the key properties of 2-N-ethyl-2-N-(2-ethylbutyl)-1-phenylbutane-1,2-diamine?
2-N-ethyl-2-N-(2-ethylbutyl)-1-phenylbutane-1,2-diamine has a molecular weight of 276.47 g/mol, XLogP of 4.22, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-2-N-(2-ethylbutyl)-1-phenylbutane-1,2-diamine is sourced from PubChem (CID 63467588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).