N-buta-1,3-dien-2-yl-N',N'-dimethylethane-1,2-diamine

C8H16N2 — CID 121296994

IUPACN-buta-1,3-dien-2-yl-N',N'-dimethylethane-1,2-diamine
SMILESC=CC(=C)NCCN(C)C
InChIInChI=1S/C8H16N2/c1-5-8(2)9-6-7-10(3)4/h5,9H,1-2,6-7H2,3-4H3
InChIKeyVKDSVVYHTBCQPN-UHFFFAOYSA-N
MW140.23 g/mol
LogP0.84
Rot. Bonds5

About N-buta-1,3-dien-2-yl-N',N'-dimethylethane-1,2-diamine

N-buta-1,3-dien-2-yl-N',N'-dimethylethane-1,2-diamine (PubChem CID 121296994) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is N-buta-1,3-dien-2-yl-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-buta-1,3-dien-2-yl-N',N'-dimethylethane-1,2-diamine
PubChem CID121296994
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC NameN-buta-1,3-dien-2-yl-N',N'-dimethylethane-1,2-diamine
SMILESC=CC(=C)NCCN(C)C
InChIInChI=1S/C8H16N2/c1-5-8(2)9-6-7-10(3)4/h5,9H,1-2,6-7H2,3-4H3
InChIKeyVKDSVVYHTBCQPN-UHFFFAOYSA-N
XLogP0.84
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-[(2E,4Z)-6-fluorohepta-2,4,6-trien-3-yl]-N,N'-dimethylethane-1,2-diamine
CID 143191827
N'-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-N,N'-dimethylethane-1,2-diamine
CID 143846292
[(E)-3-(dimethylamino)but-2-enyl]-dimethylazanium
CID 135028991
N'-ethyl-N'-[(2Z,4Z)-2-fluorohepta-2,4,6-trien-3-yl]-N-methylethane-1,2-diamine
CID 142272191
1-N-(2-fluoropropyl)-1-N,2-N-dimethylprop-2-ene-1,2-diamine
CID 170727794
N,N',N'-tris(prop-2-enyl)ethane-1,2-diamine
CID 15001041
N'-prop-2-enyl-N'-[2-(prop-2-enylamino)ethyl]ethane-1,2-diamine
CID 19094850
2-(6-methyl-2H-pyridin-1-yl)ethanamine
CID 19899437
N',N'-dimethyl-N-prop-2-enylethane-1,2-diamine
CID 20065430
2-[Bis(prop-2-enyl)azaniumyl]ethyl-bis(prop-2-enyl)azanium
CID 20583737
N'-[2-[bis(prop-2-enyl)amino]ethyl]ethane-1,2-diamine
CID 21754463
N'-[(E)-prop-1-enyl]-N-[2-[[(E)-prop-1-enyl]amino]ethyl]ethane-1,2-diamine
CID 22926434

Frequently Asked Questions

What is the IUPAC name of N-buta-1,3-dien-2-yl-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-buta-1,3-dien-2-yl-N',N'-dimethylethane-1,2-diamine (CID 121296994) is N-buta-1,3-dien-2-yl-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-buta-1,3-dien-2-yl-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-buta-1,3-dien-2-yl-N',N'-dimethylethane-1,2-diamine is C=CC(=C)NCCN(C)C.
What is the InChIKey of N-buta-1,3-dien-2-yl-N',N'-dimethylethane-1,2-diamine?
The InChIKey is VKDSVVYHTBCQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-5-8(2)9-6-7-10(3)4/h5,9H,1-2,6-7H2,3-4H3.
What are the key properties of N-buta-1,3-dien-2-yl-N',N'-dimethylethane-1,2-diamine?
N-buta-1,3-dien-2-yl-N',N'-dimethylethane-1,2-diamine has a molecular weight of 140.23 g/mol, XLogP of 0.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-buta-1,3-dien-2-yl-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 121296994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).