2-N,2-N-dimethyl-1-N-(2-methylidenebutyl)benzene-1,2-diamine

C13H20N2 — CID 106759620

IUPAC2-N,2-N-dimethyl-1-N-(2-methylidenebutyl)benzene-1,2-diamine
SMILESC=C(CC)CNc1ccccc1N(C)C
InChIInChI=1S/C13H20N2/c1-5-11(2)10-14-12-8-6-7-9-13(12)15(3)4/h6-9,14H,2,5,10H2,1,3-4H3
InChIKeyWJMPNUGFVSKGHG-UHFFFAOYSA-N
MW204.32 g/mol
LogP3.13
Rot. Bonds5

About 2-N,2-N-dimethyl-1-N-(2-methylidenebutyl)benzene-1,2-diamine

2-N,2-N-dimethyl-1-N-(2-methylidenebutyl)benzene-1,2-diamine (PubChem CID 106759620) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-1-N-(2-methylidenebutyl)benzene-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-1-N-(2-methylidenebutyl)benzene-1,2-diamine
PubChem CID106759620
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name2-N,2-N-dimethyl-1-N-(2-methylidenebutyl)benzene-1,2-diamine
SMILESC=C(CC)CNc1ccccc1N(C)C
InChIInChI=1S/C13H20N2/c1-5-11(2)10-14-12-8-6-7-9-13(12)15(3)4/h6-9,14H,2,5,10H2,1,3-4H3
InChIKeyWJMPNUGFVSKGHG-UHFFFAOYSA-N
XLogP3.13
TPSA15.27 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 ≤ 53.13
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

2-fluoro-N-(2-methylidenebutyl)aniline
CID 66045449
N-(2-methylidenebutyl)-2-propan-2-ylaniline
CID 66045915
N-(2-methylidenebutyl)-2-propylaniline
CID 66044507
1-N-butyl-2-N,2-N-dimethylbenzene-1,2-diamine
CID 43726650
2-[[2-(dimethylamino)anilino]methyl]phenol
CID 43726496
2-methyl-3-N-(2-methylidenebutyl)benzene-1,3-diamine
CID 126987109
2-[2-(dimethylamino)anilino]-N-(2-fluorophenyl)acetamide
CID 106759760
1-N-heptyl-2-N,2-N-dimethylbenzene-1,2-diamine
CID 21311748
1-(azepan-1-yl)-2-[2-(dimethylamino)anilino]ethanone
CID 106759777
3-[2-(dimethylamino)anilino]-2,2-dimethylpropanoic acid
CID 106759821
1-N,2-N,2-N-trimethylbenzene-1,2-diamine
CID 533455
2,6-dimethyl-N-(2-methylidenebutyl)aniline
CID 66044989

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-1-N-(2-methylidenebutyl)benzene-1,2-diamine?
The IUPAC name of 2-N,2-N-dimethyl-1-N-(2-methylidenebutyl)benzene-1,2-diamine (CID 106759620) is 2-N,2-N-dimethyl-1-N-(2-methylidenebutyl)benzene-1,2-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-1-N-(2-methylidenebutyl)benzene-1,2-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-1-N-(2-methylidenebutyl)benzene-1,2-diamine is C=C(CC)CNc1ccccc1N(C)C.
What is the InChIKey of 2-N,2-N-dimethyl-1-N-(2-methylidenebutyl)benzene-1,2-diamine?
The InChIKey is WJMPNUGFVSKGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-5-11(2)10-14-12-8-6-7-9-13(12)15(3)4/h6-9,14H,2,5,10H2,1,3-4H3.
What are the key properties of 2-N,2-N-dimethyl-1-N-(2-methylidenebutyl)benzene-1,2-diamine?
2-N,2-N-dimethyl-1-N-(2-methylidenebutyl)benzene-1,2-diamine has a molecular weight of 204.32 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-1-N-(2-methylidenebutyl)benzene-1,2-diamine is sourced from PubChem (CID 106759620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).