buta-1,3-diene;N,N,N',N'-tetramethylethane-1,2-diamine

C10H22N2 — CID 160608362

IUPACbuta-1,3-diene;N,N,N',N'-tetramethylethane-1,2-diamine
SMILESC=CC=C.CN(C)CCN(C)C
InChIInChI=1S/C6H16N2.C4H6/c1-7(2)5-6-8(3)4;1-3-4-2/h5-6H2,1-4H3;3-4H,1-2H2
InChIKeyRFEHOWMRMIWYKK-UHFFFAOYSA-N
MW170.30 g/mol
LogP1.47
Rot. Bonds4

About buta-1,3-diene;N,N,N',N'-tetramethylethane-1,2-diamine

buta-1,3-diene;N,N,N',N'-tetramethylethane-1,2-diamine (PubChem CID 160608362) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is buta-1,3-diene;N,N,N',N'-tetramethylethane-1,2-diamine.

Molecular Properties

Compound Namebuta-1,3-diene;N,N,N',N'-tetramethylethane-1,2-diamine
PubChem CID160608362
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Namebuta-1,3-diene;N,N,N',N'-tetramethylethane-1,2-diamine
SMILESC=CC=C.CN(C)CCN(C)C
InChIInChI=1S/C6H16N2.C4H6/c1-7(2)5-6-8(3)4;1-3-4-2/h5-6H2,1-4H3;3-4H,1-2H2
InChIKeyRFEHOWMRMIWYKK-UHFFFAOYSA-N
XLogP1.47
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

carbanide;N,N-dimethylbut-3-en-1-amine;hexa-1,5-diene;tris(platinum(4+));N,N,N',N'-tetramethylethane-1,2-diamine
CID 161382891
CID 88826921
CID 88826921
CID 173338058
CID 173338058
CID 175787026
CID 175787026
N,N-dimethylpent-4-en-1-amine;ethane
CID 155570199
copper;bis(N,N,N',N'-tetramethylethane-1,2-diamine);dihydrochloride
CID 173046939
N,N,N',N'-tetramethylethane-1,2-diamine;tin(2+);dichloride
CID 174892768
N'-ethenyl-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine
CID 143238901
copper(1+);bis(N,N,N',N'-tetramethylethane-1,2-diamine);chloride;hydrate
CID 173148949
dicopper;bis(N,N,N',N'-tetramethylethane-1,2-diamine);dichloride;dihydrate
CID 162639278
N'-ethenyl-N'-[(Z)-ethylideneamino]-N,N-dimethylethane-1,2-diamine
CID 166999170
iron(5+);N,N,N',N'-tetramethylethane-1,2-diamine;pentacyanide
CID 88790410

Frequently Asked Questions

What is the IUPAC name of buta-1,3-diene;N,N,N',N'-tetramethylethane-1,2-diamine?
The IUPAC name of buta-1,3-diene;N,N,N',N'-tetramethylethane-1,2-diamine (CID 160608362) is buta-1,3-diene;N,N,N',N'-tetramethylethane-1,2-diamine.
What is the SMILES notation for buta-1,3-diene;N,N,N',N'-tetramethylethane-1,2-diamine?
The canonical SMILES for buta-1,3-diene;N,N,N',N'-tetramethylethane-1,2-diamine is C=CC=C.CN(C)CCN(C)C.
What is the InChIKey of buta-1,3-diene;N,N,N',N'-tetramethylethane-1,2-diamine?
The InChIKey is RFEHOWMRMIWYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2.C4H6/c1-7(2)5-6-8(3)4;1-3-4-2/h5-6H2,1-4H3;3-4H,1-2H2.
What are the key properties of buta-1,3-diene;N,N,N',N'-tetramethylethane-1,2-diamine?
buta-1,3-diene;N,N,N',N'-tetramethylethane-1,2-diamine has a molecular weight of 170.30 g/mol, XLogP of 1.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for buta-1,3-diene;N,N,N',N'-tetramethylethane-1,2-diamine is sourced from PubChem (CID 160608362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).