(1Z)-N,N-dimethylbuta-1,3-dien-1-amine;ethane;propane

C11H25N — CID 143328939

IUPAC(1Z)-N,N-dimethylbuta-1,3-dien-1-amine;ethane;propane
SMILESC=C/C=C\N(C)C.CC.CCC
InChIInChI=1S/C6H11N.C3H8.C2H6/c1-4-5-6-7(2)3;1-3-2;1-2/h4-6H,1H2,2-3H3;3H2,1-2H3;1-2H3/b6-5-;;
InChIKeyHKISNPJPYRTINO-XNOMRPDFSA-N
MW171.33 g/mol
LogP3.69
Rot. Bonds2

About (1Z)-N,N-dimethylbuta-1,3-dien-1-amine;ethane;propane

(1Z)-N,N-dimethylbuta-1,3-dien-1-amine;ethane;propane (PubChem CID 143328939) has the molecular formula C11H25N and a molecular weight of 171.33 g/mol. Its IUPAC name is (1Z)-N,N-dimethylbuta-1,3-dien-1-amine;ethane;propane.

Molecular Properties

Compound Name(1Z)-N,N-dimethylbuta-1,3-dien-1-amine;ethane;propane
PubChem CID143328939
Molecular FormulaC11H25N
Molecular Weight171.33 g/mol
Exact Mass171.20
IUPAC Name(1Z)-N,N-dimethylbuta-1,3-dien-1-amine;ethane;propane
SMILESC=C/C=C\N(C)C.CC.CCC
InChIInChI=1S/C6H11N.C3H8.C2H6/c1-4-5-6-7(2)3;1-3-2;1-2/h4-6H,1H2,2-3H3;3H2,1-2H3;1-2H3/b6-5-;;
InChIKeyHKISNPJPYRTINO-XNOMRPDFSA-N
XLogP3.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.33
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;(3Z)-hexa-1,3,5-triene;propane
CID 142062128
1-[(1E)-buta-1,3-dienyl]-2-ethyl-1,2-dimethylhydrazine;ethane
CID 143701320
(1Z)-N,N-dimethylbuta-1,3-dien-1-amine;ethane;1-methylazepane
CID 143599664
(1E)-N-methyl-N-propylbuta-1,3-dien-1-amine
CID 142943331
ethane;penta-1,3-diene;propane
CID 143367111
(3Z)-hexa-1,3,5-triene;propane;prop-1-ene
CID 142406925
(1E)-N-methyl-N-prop-2-enylbuta-1,3-dien-1-amine
CID 143685278
(1Z,3Z)-N-[(1Z)-buta-1,3-dienyl]-N-methylhexa-1,3,5-trien-1-amine
CID 163917439
1-buta-1,3-dienyl-1-methylhydrazine
CID 91065871
ethane;(3Z)-penta-1,3-diene;propane;prop-1-ene
CID 142061994
(Z)-but-2-ene;ethane;(3Z)-penta-1,3-diene;propane
CID 142056064
benzene;(3Z)-hexa-1,3,5-triene;propane
CID 159956951

Frequently Asked Questions

What is the IUPAC name of (1Z)-N,N-dimethylbuta-1,3-dien-1-amine;ethane;propane?
The IUPAC name of (1Z)-N,N-dimethylbuta-1,3-dien-1-amine;ethane;propane (CID 143328939) is (1Z)-N,N-dimethylbuta-1,3-dien-1-amine;ethane;propane.
What is the SMILES notation for (1Z)-N,N-dimethylbuta-1,3-dien-1-amine;ethane;propane?
The canonical SMILES for (1Z)-N,N-dimethylbuta-1,3-dien-1-amine;ethane;propane is C=C/C=C\N(C)C.CC.CCC.
What is the InChIKey of (1Z)-N,N-dimethylbuta-1,3-dien-1-amine;ethane;propane?
The InChIKey is HKISNPJPYRTINO-XNOMRPDFSA-N. The full InChI is InChI=1S/C6H11N.C3H8.C2H6/c1-4-5-6-7(2)3;1-3-2;1-2/h4-6H,1H2,2-3H3;3H2,1-2H3;1-2H3/b6-5-;;.
What are the key properties of (1Z)-N,N-dimethylbuta-1,3-dien-1-amine;ethane;propane?
(1Z)-N,N-dimethylbuta-1,3-dien-1-amine;ethane;propane has a molecular weight of 171.33 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-N,N-dimethylbuta-1,3-dien-1-amine;ethane;propane is sourced from PubChem (CID 143328939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).