3-N-ethyl-3-N-(2-methylbutyl)benzene-1,3-diamine

C13H22N2 — CID 63229637

IUPAC3-N-ethyl-3-N-(2-methylbutyl)benzene-1,3-diamine
SMILESCCC(C)CN(CC)c1cccc(N)c1
InChIInChI=1S/C13H22N2/c1-4-11(3)10-15(5-2)13-8-6-7-12(14)9-13/h6-9,11H,4-5,10,14H2,1-3H3
InChIKeyAIGCFVFEXIBPEG-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.14
Rot. Bonds5

About 3-N-ethyl-3-N-(2-methylbutyl)benzene-1,3-diamine

3-N-ethyl-3-N-(2-methylbutyl)benzene-1,3-diamine (PubChem CID 63229637) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 3-N-ethyl-3-N-(2-methylbutyl)benzene-1,3-diamine.

Molecular Properties

Compound Name3-N-ethyl-3-N-(2-methylbutyl)benzene-1,3-diamine
PubChem CID63229637
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name3-N-ethyl-3-N-(2-methylbutyl)benzene-1,3-diamine
SMILESCCC(C)CN(CC)c1cccc(N)c1
InChIInChI=1S/C13H22N2/c1-4-11(3)10-15(5-2)13-8-6-7-12(14)9-13/h6-9,11H,4-5,10,14H2,1-3H3
InChIKeyAIGCFVFEXIBPEG-UHFFFAOYSA-N
XLogP3.14
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-N-ethyl-3-N-(3-methylbutyl)benzene-1,3-diamine
CID 63230057
3-N-ethyl-3-N-propylbenzene-1,3-diamine
CID 43268426
3-N-ethyl-3-N-(2-ethylhexyl)benzene-1,3-diamine
CID 63532934
3-N-butan-2-yl-3-N-ethylbenzene-1,3-diamine
CID 43274249
3-[1-[ethyl(2-methylbutyl)amino]ethyl]aniline
CID 79476910
2-(difluoromethyl)-1-N-ethyl-1-N-(2-methylbutyl)benzene-1,4-diamine
CID 79478202
3-N-butan-2-yl-3-N-methylbenzene-1,3-diamine
CID 43272599
3-N-ethyl-3-N-(2-methoxyethyl)benzene-1,3-diamine
CID 61444424
3-(3-amino-N-ethylanilino)propan-1-ol
CID 63229758
3-N-[1-(dimethylamino)propan-2-yl]-3-N-ethylbenzene-1,3-diamine
CID 103187647
4-[(1R)-1-aminoethyl]-N-ethyl-N-(2-methylbutyl)aniline
CID 79477951
3-[1-[methyl(2-methylbutyl)amino]ethyl]aniline
CID 61262568

Frequently Asked Questions

What is the IUPAC name of 3-N-ethyl-3-N-(2-methylbutyl)benzene-1,3-diamine?
The IUPAC name of 3-N-ethyl-3-N-(2-methylbutyl)benzene-1,3-diamine (CID 63229637) is 3-N-ethyl-3-N-(2-methylbutyl)benzene-1,3-diamine.
What is the SMILES notation for 3-N-ethyl-3-N-(2-methylbutyl)benzene-1,3-diamine?
The canonical SMILES for 3-N-ethyl-3-N-(2-methylbutyl)benzene-1,3-diamine is CCC(C)CN(CC)c1cccc(N)c1.
What is the InChIKey of 3-N-ethyl-3-N-(2-methylbutyl)benzene-1,3-diamine?
The InChIKey is AIGCFVFEXIBPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-4-11(3)10-15(5-2)13-8-6-7-12(14)9-13/h6-9,11H,4-5,10,14H2,1-3H3.
What are the key properties of 3-N-ethyl-3-N-(2-methylbutyl)benzene-1,3-diamine?
3-N-ethyl-3-N-(2-methylbutyl)benzene-1,3-diamine has a molecular weight of 206.33 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-ethyl-3-N-(2-methylbutyl)benzene-1,3-diamine is sourced from PubChem (CID 63229637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).