ethane;(2E)-2-ethenyl-N,N-dimethylpenta-2,4-dien-1-amine

C11H21N — CID 143538747

IUPACethane;(2E)-2-ethenyl-N,N-dimethylpenta-2,4-dien-1-amine
SMILESC=C/C=C(\C=C)CN(C)C.CC
InChIInChI=1S/C9H15N.C2H6/c1-5-7-9(6-2)8-10(3)4;1-2/h5-7H,1-2,8H2,3-4H3;1-2H3/b9-7+;
InChIKeyKDOWUXWTBCTONL-BXTVWIJMSA-N
MW167.30 g/mol
LogP2.87
Rot. Bonds4

About ethane;(2E)-2-ethenyl-N,N-dimethylpenta-2,4-dien-1-amine

ethane;(2E)-2-ethenyl-N,N-dimethylpenta-2,4-dien-1-amine (PubChem CID 143538747) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is ethane;(2E)-2-ethenyl-N,N-dimethylpenta-2,4-dien-1-amine.

Molecular Properties

Compound Nameethane;(2E)-2-ethenyl-N,N-dimethylpenta-2,4-dien-1-amine
PubChem CID143538747
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Nameethane;(2E)-2-ethenyl-N,N-dimethylpenta-2,4-dien-1-amine
SMILESC=C/C=C(\C=C)CN(C)C.CC
InChIInChI=1S/C9H15N.C2H6/c1-5-7-9(6-2)8-10(3)4;1-2/h5-7H,1-2,8H2,3-4H3;1-2H3/b9-7+;
InChIKeyKDOWUXWTBCTONL-BXTVWIJMSA-N
XLogP2.87
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;(2E)-2-ethenyl-N,N-dimethylpenta-2,4-dien-1-amine?
The IUPAC name of ethane;(2E)-2-ethenyl-N,N-dimethylpenta-2,4-dien-1-amine (CID 143538747) is ethane;(2E)-2-ethenyl-N,N-dimethylpenta-2,4-dien-1-amine.
What is the SMILES notation for ethane;(2E)-2-ethenyl-N,N-dimethylpenta-2,4-dien-1-amine?
The canonical SMILES for ethane;(2E)-2-ethenyl-N,N-dimethylpenta-2,4-dien-1-amine is C=C/C=C(\C=C)CN(C)C.CC.
What is the InChIKey of ethane;(2E)-2-ethenyl-N,N-dimethylpenta-2,4-dien-1-amine?
The InChIKey is KDOWUXWTBCTONL-BXTVWIJMSA-N. The full InChI is InChI=1S/C9H15N.C2H6/c1-5-7-9(6-2)8-10(3)4;1-2/h5-7H,1-2,8H2,3-4H3;1-2H3/b9-7+;.
What are the key properties of ethane;(2E)-2-ethenyl-N,N-dimethylpenta-2,4-dien-1-amine?
ethane;(2E)-2-ethenyl-N,N-dimethylpenta-2,4-dien-1-amine has a molecular weight of 167.30 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2E)-2-ethenyl-N,N-dimethylpenta-2,4-dien-1-amine is sourced from PubChem (CID 143538747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).