(E)-N,N,3-trimethyl-4-(5-methylhexa-1,5-dien-2-ylimino)pent-2-en-2-amine

C15H26N2 — CID 167056874

IUPAC(E)-N,N,3-trimethyl-4-(5-methylhexa-1,5-dien-2-ylimino)pent-2-en-2-amine
SMILESC=C(C)CCC(=C)/N=C(C)/C(C)=C(\C)N(C)C
InChIInChI=1S/C15H26N2/c1-11(2)9-10-12(3)16-14(5)13(4)15(6)17(7)8/h1,3,9-10H2,2,4-8H3/b15-13+,16-14+
InChIKeyMVDBFFRWEDUAGJ-WXUKJITCSA-N
MW234.39 g/mol
LogP4.17
Rot. Bonds6

About (E)-N,N,3-trimethyl-4-(5-methylhexa-1,5-dien-2-ylimino)pent-2-en-2-amine

(E)-N,N,3-trimethyl-4-(5-methylhexa-1,5-dien-2-ylimino)pent-2-en-2-amine (PubChem CID 167056874) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is (E)-N,N,3-trimethyl-4-(5-methylhexa-1,5-dien-2-ylimino)pent-2-en-2-amine.

Molecular Properties

Compound Name(E)-N,N,3-trimethyl-4-(5-methylhexa-1,5-dien-2-ylimino)pent-2-en-2-amine
PubChem CID167056874
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name(E)-N,N,3-trimethyl-4-(5-methylhexa-1,5-dien-2-ylimino)pent-2-en-2-amine
SMILESC=C(C)CCC(=C)/N=C(C)/C(C)=C(\C)N(C)C
InChIInChI=1S/C15H26N2/c1-11(2)9-10-12(3)16-14(5)13(4)15(6)17(7)8/h1,3,9-10H2,2,4-8H3/b15-13+,16-14+
InChIKeyMVDBFFRWEDUAGJ-WXUKJITCSA-N
XLogP4.17
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N,N,3-trimethyl-4-(5-methylhexa-1,5-dien-2-ylimino)pent-2-en-2-amine?
The IUPAC name of (E)-N,N,3-trimethyl-4-(5-methylhexa-1,5-dien-2-ylimino)pent-2-en-2-amine (CID 167056874) is (E)-N,N,3-trimethyl-4-(5-methylhexa-1,5-dien-2-ylimino)pent-2-en-2-amine.
What is the SMILES notation for (E)-N,N,3-trimethyl-4-(5-methylhexa-1,5-dien-2-ylimino)pent-2-en-2-amine?
The canonical SMILES for (E)-N,N,3-trimethyl-4-(5-methylhexa-1,5-dien-2-ylimino)pent-2-en-2-amine is C=C(C)CCC(=C)/N=C(C)/C(C)=C(\C)N(C)C.
What is the InChIKey of (E)-N,N,3-trimethyl-4-(5-methylhexa-1,5-dien-2-ylimino)pent-2-en-2-amine?
The InChIKey is MVDBFFRWEDUAGJ-WXUKJITCSA-N. The full InChI is InChI=1S/C15H26N2/c1-11(2)9-10-12(3)16-14(5)13(4)15(6)17(7)8/h1,3,9-10H2,2,4-8H3/b15-13+,16-14+.
What are the key properties of (E)-N,N,3-trimethyl-4-(5-methylhexa-1,5-dien-2-ylimino)pent-2-en-2-amine?
(E)-N,N,3-trimethyl-4-(5-methylhexa-1,5-dien-2-ylimino)pent-2-en-2-amine has a molecular weight of 234.39 g/mol, XLogP of 4.17, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N,3-trimethyl-4-(5-methylhexa-1,5-dien-2-ylimino)pent-2-en-2-amine is sourced from PubChem (CID 167056874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).