2-N,2-N-bis(prop-2-enyl)benzene-1,2-diamine;but-1-ene

C16H24N2 — CID 175301373

IUPAC2-N,2-N-bis(prop-2-enyl)benzene-1,2-diamine;but-1-ene
SMILESC=CCC.C=CCN(CC=C)c1ccccc1N
InChIInChI=1S/C12H16N2.C4H8/c1-3-9-14(10-4-2)12-8-6-5-7-11(12)13;1-3-4-2/h3-8H,1-2,9-10,13H2;3H,1,4H2,2H3
InChIKeyMCPWPUMNDJFGNN-UHFFFAOYSA-N
MW244.38 g/mol
LogP4.03
Rot. Bonds6

About 2-N,2-N-bis(prop-2-enyl)benzene-1,2-diamine;but-1-ene

2-N,2-N-bis(prop-2-enyl)benzene-1,2-diamine;but-1-ene (PubChem CID 175301373) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 2-N,2-N-bis(prop-2-enyl)benzene-1,2-diamine;but-1-ene.

Molecular Properties

Compound Name2-N,2-N-bis(prop-2-enyl)benzene-1,2-diamine;but-1-ene
PubChem CID175301373
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name2-N,2-N-bis(prop-2-enyl)benzene-1,2-diamine;but-1-ene
SMILESC=CCC.C=CCN(CC=C)c1ccccc1N
InChIInChI=1S/C12H16N2.C4H8/c1-3-9-14(10-4-2)12-8-6-5-7-11(12)13;1-3-4-2/h3-8H,1-2,9-10,13H2;3H,1,4H2,2H3
InChIKeyMCPWPUMNDJFGNN-UHFFFAOYSA-N
XLogP4.03
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-N,2-N-bis(prop-2-enyl)benzene-1,2-diamine;but-1-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-1-N,1-N-bis(prop-2-enyl)benzene-1,2-diamine
CID 56831517
N-(2-aminophenyl)-N-prop-2-enylacetamide
CID 10702854
2-[bis(prop-2-enyl)amino]benzenethiol
CID 67687576
2-[1-(methylamino)ethyl]-N,N-bis(prop-2-enyl)aniline
CID 43283871
N,N-bis(prop-2-enyl)-2-[1-(propylamino)ethyl]aniline
CID 43283869
(1S)-1-[2-[ethyl(prop-2-enyl)amino]phenyl]propan-1-ol
CID 103960311
2,3-bis[bis(prop-2-enyl)amino]phenol
CID 141359055
3-N-ethyl-3-N-prop-2-enylquinoxaline-2,3-diamine
CID 102986988
N,N-bis(prop-2-enyl)anthracen-1-amine
CID 118977865
2-N-nonyl-2-N-propylbenzene-1,2-diamine
CID 63532032
2-N,2-N-dibenzylbenzene-1,2-diamine
CID 23459358
2-N-ethyl-2-N-methylbenzene-1,2-diamine;dihydrochloride
CID 155970662

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-bis(prop-2-enyl)benzene-1,2-diamine;but-1-ene?
The IUPAC name of 2-N,2-N-bis(prop-2-enyl)benzene-1,2-diamine;but-1-ene (CID 175301373) is 2-N,2-N-bis(prop-2-enyl)benzene-1,2-diamine;but-1-ene.
What is the SMILES notation for 2-N,2-N-bis(prop-2-enyl)benzene-1,2-diamine;but-1-ene?
The canonical SMILES for 2-N,2-N-bis(prop-2-enyl)benzene-1,2-diamine;but-1-ene is C=CCC.C=CCN(CC=C)c1ccccc1N.
What is the InChIKey of 2-N,2-N-bis(prop-2-enyl)benzene-1,2-diamine;but-1-ene?
The InChIKey is MCPWPUMNDJFGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2.C4H8/c1-3-9-14(10-4-2)12-8-6-5-7-11(12)13;1-3-4-2/h3-8H,1-2,9-10,13H2;3H,1,4H2,2H3.
What are the key properties of 2-N,2-N-bis(prop-2-enyl)benzene-1,2-diamine;but-1-ene?
2-N,2-N-bis(prop-2-enyl)benzene-1,2-diamine;but-1-ene has a molecular weight of 244.38 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-bis(prop-2-enyl)benzene-1,2-diamine;but-1-ene is sourced from PubChem (CID 175301373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).