2-methyl-3-N-(2-methylidenebutyl)benzene-1,3-diamine

C12H18N2 — CID 126987109

IUPAC2-methyl-3-N-(2-methylidenebutyl)benzene-1,3-diamine
SMILESC=C(CC)CNc1cccc(N)c1C
InChIInChI=1S/C12H18N2/c1-4-9(2)8-14-12-7-5-6-11(13)10(12)3/h5-7,14H,2,4,8,13H2,1,3H3
InChIKeyMYXGBKTVTBZDOT-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.96
Rot. Bonds4

About 2-methyl-3-N-(2-methylidenebutyl)benzene-1,3-diamine

2-methyl-3-N-(2-methylidenebutyl)benzene-1,3-diamine (PubChem CID 126987109) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 2-methyl-3-N-(2-methylidenebutyl)benzene-1,3-diamine.

Molecular Properties

Compound Name2-methyl-3-N-(2-methylidenebutyl)benzene-1,3-diamine
PubChem CID126987109
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name2-methyl-3-N-(2-methylidenebutyl)benzene-1,3-diamine
SMILESC=C(CC)CNc1cccc(N)c1C
InChIInChI=1S/C12H18N2/c1-4-9(2)8-14-12-7-5-6-11(13)10(12)3/h5-7,14H,2,4,8,13H2,1,3H3
InChIKeyMYXGBKTVTBZDOT-UHFFFAOYSA-N
XLogP2.96
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-amino-2-methylanilino)-N-ethylacetamide
CID 63077987
2-fluoro-N-(2-methylidenebutyl)aniline
CID 66045449
2,6-dimethyl-N-(2-methylidenebutyl)aniline
CID 66044989
N-(2-methylidenebutyl)-2-propylaniline
CID 66044507
2-N,2-N-dimethyl-1-N-(2-methylidenebutyl)benzene-1,2-diamine
CID 106759620
2-(3-amino-2-methylanilino)-N-(2-methylpropyl)acetamide
CID 113404982
3-N-[2-(diethylamino)ethyl]-2-methylbenzene-1,3-diamine
CID 63076066
4-(3-amino-2-methylanilino)butan-2-ol
CID 64928447
2-methyl-3-N-[(4-methylphenyl)methyl]benzene-1,3-diamine
CID 55146226
4-[2-(3-amino-2-methylanilino)ethyl]phenol
CID 55146611
2-methyl-3-N-(pyridazin-3-ylmethyl)benzene-1,3-diamine
CID 106894773
1-(3-amino-2-methylanilino)-2,4-dimethylpentan-2-ol
CID 66180708

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-N-(2-methylidenebutyl)benzene-1,3-diamine?
The IUPAC name of 2-methyl-3-N-(2-methylidenebutyl)benzene-1,3-diamine (CID 126987109) is 2-methyl-3-N-(2-methylidenebutyl)benzene-1,3-diamine.
What is the SMILES notation for 2-methyl-3-N-(2-methylidenebutyl)benzene-1,3-diamine?
The canonical SMILES for 2-methyl-3-N-(2-methylidenebutyl)benzene-1,3-diamine is C=C(CC)CNc1cccc(N)c1C.
What is the InChIKey of 2-methyl-3-N-(2-methylidenebutyl)benzene-1,3-diamine?
The InChIKey is MYXGBKTVTBZDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-4-9(2)8-14-12-7-5-6-11(13)10(12)3/h5-7,14H,2,4,8,13H2,1,3H3.
What are the key properties of 2-methyl-3-N-(2-methylidenebutyl)benzene-1,3-diamine?
2-methyl-3-N-(2-methylidenebutyl)benzene-1,3-diamine has a molecular weight of 190.29 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-N-(2-methylidenebutyl)benzene-1,3-diamine is sourced from PubChem (CID 126987109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).