ethane;(2E)-2-ethenyl-N,N,3-trimethylpenta-2,4-dien-1-amine

C12H23N — CID 142250465

IUPACethane;(2E)-2-ethenyl-N,N,3-trimethylpenta-2,4-dien-1-amine
SMILESC=C/C(C)=C(\C=C)CN(C)C.CC
InChIInChI=1S/C10H17N.C2H6/c1-6-9(3)10(7-2)8-11(4)5;1-2/h6-7H,1-2,8H2,3-5H3;1-2H3/b10-9+;
InChIKeyOGRZPTPRZMEVDP-RRABGKBLSA-N
MW181.32 g/mol
LogP3.26
Rot. Bonds4

About ethane;(2E)-2-ethenyl-N,N,3-trimethylpenta-2,4-dien-1-amine

ethane;(2E)-2-ethenyl-N,N,3-trimethylpenta-2,4-dien-1-amine (PubChem CID 142250465) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is ethane;(2E)-2-ethenyl-N,N,3-trimethylpenta-2,4-dien-1-amine.

Molecular Properties

Compound Nameethane;(2E)-2-ethenyl-N,N,3-trimethylpenta-2,4-dien-1-amine
PubChem CID142250465
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Nameethane;(2E)-2-ethenyl-N,N,3-trimethylpenta-2,4-dien-1-amine
SMILESC=C/C(C)=C(\C=C)CN(C)C.CC
InChIInChI=1S/C10H17N.C2H6/c1-6-9(3)10(7-2)8-11(4)5;1-2/h6-7H,1-2,8H2,3-5H3;1-2H3/b10-9+;
InChIKeyOGRZPTPRZMEVDP-RRABGKBLSA-N
XLogP3.26
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.26
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,3-trimethylpenta-2,4-dien-1-amine?
The IUPAC name of ethane;(2E)-2-ethenyl-N,N,3-trimethylpenta-2,4-dien-1-amine (CID 142250465) is ethane;(2E)-2-ethenyl-N,N,3-trimethylpenta-2,4-dien-1-amine.
What is the SMILES notation for ethane;(2E)-2-ethenyl-N,N,3-trimethylpenta-2,4-dien-1-amine?
The canonical SMILES for ethane;(2E)-2-ethenyl-N,N,3-trimethylpenta-2,4-dien-1-amine is C=C/C(C)=C(\C=C)CN(C)C.CC.
What is the InChIKey of ethane;(2E)-2-ethenyl-N,N,3-trimethylpenta-2,4-dien-1-amine?
The InChIKey is OGRZPTPRZMEVDP-RRABGKBLSA-N. The full InChI is InChI=1S/C10H17N.C2H6/c1-6-9(3)10(7-2)8-11(4)5;1-2/h6-7H,1-2,8H2,3-5H3;1-2H3/b10-9+;.
What are the key properties of ethane;(2E)-2-ethenyl-N,N,3-trimethylpenta-2,4-dien-1-amine?
ethane;(2E)-2-ethenyl-N,N,3-trimethylpenta-2,4-dien-1-amine has a molecular weight of 181.32 g/mol, XLogP of 3.26, 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,3-trimethylpenta-2,4-dien-1-amine is sourced from PubChem (CID 142250465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).