(E)-N,N,3-trimethyl-4-[(2Z)-4-methylpenta-2,4-dien-2-yl]imino-2-[(Z)-prop-1-enyl]pent-2-en-1-amine

C17H28N2 — CID 126636351

IUPAC(E)-N,N,3-trimethyl-4-[(2Z)-4-methylpenta-2,4-dien-2-yl]imino-2-[(Z)-prop-1-enyl]pent-2-en-1-amine
SMILESC=C(C)/C=C(C)\N=C(C)\C(C)=C(/C=C\C)CN(C)C
InChIInChI=1S/C17H28N2/c1-9-10-17(12-19(7)8)15(5)16(6)18-14(4)11-13(2)3/h9-11H,2,12H2,1,3-8H3/b10-9-,14-11-,17-15+,18-16+
InChIKeyYYTLVWUSANNUEI-UQRDOISXSA-N
MW260.43 g/mol
LogP4.38
Rot. Bonds6

About (E)-N,N,3-trimethyl-4-[(2Z)-4-methylpenta-2,4-dien-2-yl]imino-2-[(Z)-prop-1-enyl]pent-2-en-1-amine

(E)-N,N,3-trimethyl-4-[(2Z)-4-methylpenta-2,4-dien-2-yl]imino-2-[(Z)-prop-1-enyl]pent-2-en-1-amine (PubChem CID 126636351) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is (E)-N,N,3-trimethyl-4-[(2Z)-4-methylpenta-2,4-dien-2-yl]imino-2-[(Z)-prop-1-enyl]pent-2-en-1-amine.

Molecular Properties

Compound Name(E)-N,N,3-trimethyl-4-[(2Z)-4-methylpenta-2,4-dien-2-yl]imino-2-[(Z)-prop-1-enyl]pent-2-en-1-amine
PubChem CID126636351
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name(E)-N,N,3-trimethyl-4-[(2Z)-4-methylpenta-2,4-dien-2-yl]imino-2-[(Z)-prop-1-enyl]pent-2-en-1-amine
SMILESC=C(C)/C=C(C)\N=C(C)\C(C)=C(/C=C\C)CN(C)C
InChIInChI=1S/C17H28N2/c1-9-10-17(12-19(7)8)15(5)16(6)18-14(4)11-13(2)3/h9-11H,2,12H2,1,3-8H3/b10-9-,14-11-,17-15+,18-16+
InChIKeyYYTLVWUSANNUEI-UQRDOISXSA-N
XLogP4.38
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N,N,3-trimethyl-4-[(2Z)-4-methylpenta-2,4-dien-2-yl]imino-2-[(Z)-prop-1-enyl]pent-2-en-1-amine?
The IUPAC name of (E)-N,N,3-trimethyl-4-[(2Z)-4-methylpenta-2,4-dien-2-yl]imino-2-[(Z)-prop-1-enyl]pent-2-en-1-amine (CID 126636351) is (E)-N,N,3-trimethyl-4-[(2Z)-4-methylpenta-2,4-dien-2-yl]imino-2-[(Z)-prop-1-enyl]pent-2-en-1-amine.
What is the SMILES notation for (E)-N,N,3-trimethyl-4-[(2Z)-4-methylpenta-2,4-dien-2-yl]imino-2-[(Z)-prop-1-enyl]pent-2-en-1-amine?
The canonical SMILES for (E)-N,N,3-trimethyl-4-[(2Z)-4-methylpenta-2,4-dien-2-yl]imino-2-[(Z)-prop-1-enyl]pent-2-en-1-amine is C=C(C)/C=C(C)\N=C(C)\C(C)=C(/C=C\C)CN(C)C.
What is the InChIKey of (E)-N,N,3-trimethyl-4-[(2Z)-4-methylpenta-2,4-dien-2-yl]imino-2-[(Z)-prop-1-enyl]pent-2-en-1-amine?
The InChIKey is YYTLVWUSANNUEI-UQRDOISXSA-N. The full InChI is InChI=1S/C17H28N2/c1-9-10-17(12-19(7)8)15(5)16(6)18-14(4)11-13(2)3/h9-11H,2,12H2,1,3-8H3/b10-9-,14-11-,17-15+,18-16+.
What are the key properties of (E)-N,N,3-trimethyl-4-[(2Z)-4-methylpenta-2,4-dien-2-yl]imino-2-[(Z)-prop-1-enyl]pent-2-en-1-amine?
(E)-N,N,3-trimethyl-4-[(2Z)-4-methylpenta-2,4-dien-2-yl]imino-2-[(Z)-prop-1-enyl]pent-2-en-1-amine has a molecular weight of 260.43 g/mol, XLogP of 4.38, 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-[(2Z)-4-methylpenta-2,4-dien-2-yl]imino-2-[(Z)-prop-1-enyl]pent-2-en-1-amine is sourced from PubChem (CID 126636351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).