(1Z,4Z)-1-[(E)-[(E)-but-2-enylidene]amino]-N,N-dimethyl-3-methylimino-2-propylhexa-1,4-dien-1-amine;ethane

C18H33N3 — CID 143956453

IUPAC(1Z,4Z)-1-[(E)-[(E)-but-2-enylidene]amino]-N,N-dimethyl-3-methylimino-2-propylhexa-1,4-dien-1-amine;ethane
SMILESC/C=C\C(=N/C)\C(CCC)=C(/N=C/C=C/C)N(C)C.CC
InChIInChI=1S/C16H27N3.C2H6/c1-7-10-13-18-16(19(5)6)14(11-8-2)15(17-4)12-9-3;1-2/h7,9-10,12-13H,8,11H2,1-6H3;1-2H3/b10-7+,12-9-,16-14+,17-15+,18-13+;
InChIKeyFGMYXTXEWCQEPN-RWLCAQNISA-N
MW291.48 g/mol
LogP4.88
Rot. Bonds7

About (1Z,4Z)-1-[(E)-[(E)-but-2-enylidene]amino]-N,N-dimethyl-3-methylimino-2-propylhexa-1,4-dien-1-amine;ethane

(1Z,4Z)-1-[(E)-[(E)-but-2-enylidene]amino]-N,N-dimethyl-3-methylimino-2-propylhexa-1,4-dien-1-amine;ethane (PubChem CID 143956453) has the molecular formula C18H33N3 and a molecular weight of 291.48 g/mol. Its IUPAC name is (1Z,4Z)-1-[(E)-[(E)-but-2-enylidene]amino]-N,N-dimethyl-3-methylimino-2-propylhexa-1,4-dien-1-amine;ethane.

Molecular Properties

Compound Name(1Z,4Z)-1-[(E)-[(E)-but-2-enylidene]amino]-N,N-dimethyl-3-methylimino-2-propylhexa-1,4-dien-1-amine;ethane
PubChem CID143956453
Molecular FormulaC18H33N3
Molecular Weight291.48 g/mol
Exact Mass291.27
IUPAC Name(1Z,4Z)-1-[(E)-[(E)-but-2-enylidene]amino]-N,N-dimethyl-3-methylimino-2-propylhexa-1,4-dien-1-amine;ethane
SMILESC/C=C\C(=N/C)\C(CCC)=C(/N=C/C=C/C)N(C)C.CC
InChIInChI=1S/C16H27N3.C2H6/c1-7-10-13-18-16(19(5)6)14(11-8-2)15(17-4)12-9-3;1-2/h7,9-10,12-13H,8,11H2,1-6H3;1-2H3/b10-7+,12-9-,16-14+,17-15+,18-13+;
InChIKeyFGMYXTXEWCQEPN-RWLCAQNISA-N
XLogP4.88
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1Z,4Z)-1-[(E)-[(E)-but-2-enylidene]amino]-N,N-dimethyl-3-methylimino-2-propylhexa-1,4-dien-1-amine;ethane?
The IUPAC name of (1Z,4Z)-1-[(E)-[(E)-but-2-enylidene]amino]-N,N-dimethyl-3-methylimino-2-propylhexa-1,4-dien-1-amine;ethane (CID 143956453) is (1Z,4Z)-1-[(E)-[(E)-but-2-enylidene]amino]-N,N-dimethyl-3-methylimino-2-propylhexa-1,4-dien-1-amine;ethane.
What is the SMILES notation for (1Z,4Z)-1-[(E)-[(E)-but-2-enylidene]amino]-N,N-dimethyl-3-methylimino-2-propylhexa-1,4-dien-1-amine;ethane?
The canonical SMILES for (1Z,4Z)-1-[(E)-[(E)-but-2-enylidene]amino]-N,N-dimethyl-3-methylimino-2-propylhexa-1,4-dien-1-amine;ethane is C/C=C\C(=N/C)\C(CCC)=C(/N=C/C=C/C)N(C)C.CC.
What is the InChIKey of (1Z,4Z)-1-[(E)-[(E)-but-2-enylidene]amino]-N,N-dimethyl-3-methylimino-2-propylhexa-1,4-dien-1-amine;ethane?
The InChIKey is FGMYXTXEWCQEPN-RWLCAQNISA-N. The full InChI is InChI=1S/C16H27N3.C2H6/c1-7-10-13-18-16(19(5)6)14(11-8-2)15(17-4)12-9-3;1-2/h7,9-10,12-13H,8,11H2,1-6H3;1-2H3/b10-7+,12-9-,16-14+,17-15+,18-13+;.
What are the key properties of (1Z,4Z)-1-[(E)-[(E)-but-2-enylidene]amino]-N,N-dimethyl-3-methylimino-2-propylhexa-1,4-dien-1-amine;ethane?
(1Z,4Z)-1-[(E)-[(E)-but-2-enylidene]amino]-N,N-dimethyl-3-methylimino-2-propylhexa-1,4-dien-1-amine;ethane has a molecular weight of 291.48 g/mol, XLogP of 4.88, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,4Z)-1-[(E)-[(E)-but-2-enylidene]amino]-N,N-dimethyl-3-methylimino-2-propylhexa-1,4-dien-1-amine;ethane is sourced from PubChem (CID 143956453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).