N'-ethyl-2-methylidene-N'-(2-methylphenyl)propane-1,3-diamine

C13H20N2 — CID 103069098

IUPACN'-ethyl-2-methylidene-N'-(2-methylphenyl)propane-1,3-diamine
SMILESC=C(CN)CN(CC)c1ccccc1C
InChIInChI=1S/C13H20N2/c1-4-15(10-11(2)9-14)13-8-6-5-7-12(13)3/h5-8H,2,4,9-10,14H2,1,3H3
InChIKeyBVBULKSMJNNCHQ-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.34
Rot. Bonds5

About N'-ethyl-2-methylidene-N'-(2-methylphenyl)propane-1,3-diamine

N'-ethyl-2-methylidene-N'-(2-methylphenyl)propane-1,3-diamine (PubChem CID 103069098) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is N'-ethyl-2-methylidene-N'-(2-methylphenyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-ethyl-2-methylidene-N'-(2-methylphenyl)propane-1,3-diamine
PubChem CID103069098
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC NameN'-ethyl-2-methylidene-N'-(2-methylphenyl)propane-1,3-diamine
SMILESC=C(CN)CN(CC)c1ccccc1C
InChIInChI=1S/C13H20N2/c1-4-15(10-11(2)9-14)13-8-6-5-7-12(13)3/h5-8H,2,4,9-10,14H2,1,3H3
InChIKeyBVBULKSMJNNCHQ-UHFFFAOYSA-N
XLogP2.34
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-(N-ethyl-2-methylanilino)-N-(2-methylprop-2-enyl)acetamide
CID 78820883
N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-ethyl-2-methylaniline
CID 63887243
2-(N-ethyl-2-methylanilino)-1-(4-iodophenyl)ethanone
CID 43228314
4-(N-ethyl-2-methylanilino)butan-2-one
CID 28948801
1-(2,5-dibromothiophen-3-yl)-2-(N-ethyl-2-methylanilino)ethanone
CID 43228317
1-amino-6-(N-ethyl-2-methylanilino)-2-methylhexan-2-ol
CID 64818535
2-(N-ethyl-2-methylanilino)-N-(2-iodophenyl)acetamide
CID 55434677
N-[[2-(aminomethyl)-4-fluorophenyl]methyl]-N-ethyl-2-methylaniline
CID 63289026
2-(N-ethyl-2-methylanilino)-N-(propan-2-ylcarbamoyl)acetamide
CID 47121669
2-(N-ethyl-2-methylanilino)-1-(1-methylpyrrol-2-yl)ethanone
CID 43228316
1-(2,5-dimethylthiophen-3-yl)-2-(N-ethyl-2-methylanilino)ethanone
CID 43228322
1-(N-ethyl-2-methylanilino)-3-sulfanylpropan-2-ol
CID 174382488

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-2-methylidene-N'-(2-methylphenyl)propane-1,3-diamine?
The IUPAC name of N'-ethyl-2-methylidene-N'-(2-methylphenyl)propane-1,3-diamine (CID 103069098) is N'-ethyl-2-methylidene-N'-(2-methylphenyl)propane-1,3-diamine.
What is the SMILES notation for N'-ethyl-2-methylidene-N'-(2-methylphenyl)propane-1,3-diamine?
The canonical SMILES for N'-ethyl-2-methylidene-N'-(2-methylphenyl)propane-1,3-diamine is C=C(CN)CN(CC)c1ccccc1C.
What is the InChIKey of N'-ethyl-2-methylidene-N'-(2-methylphenyl)propane-1,3-diamine?
The InChIKey is BVBULKSMJNNCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-4-15(10-11(2)9-14)13-8-6-5-7-12(13)3/h5-8H,2,4,9-10,14H2,1,3H3.
What are the key properties of N'-ethyl-2-methylidene-N'-(2-methylphenyl)propane-1,3-diamine?
N'-ethyl-2-methylidene-N'-(2-methylphenyl)propane-1,3-diamine has a molecular weight of 204.32 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-2-methylidene-N'-(2-methylphenyl)propane-1,3-diamine is sourced from PubChem (CID 103069098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).