(2E)-3-ethenyl-1-N-methyl-5-prop-2-enyl-5-N,2-dipropylhepta-2,6-diene-1,5,6-triamine

C19H35N3 — CID 126748513

IUPAC(2E)-3-ethenyl-1-N-methyl-5-prop-2-enyl-5-N,2-dipropylhepta-2,6-diene-1,5,6-triamine
SMILESC=CCC(C/C(C=C)=C(/CCC)CNC)(NCCC)C(=C)N
InChIInChI=1S/C19H35N3/c1-7-11-18(15-21-6)17(10-4)14-19(12-8-2,16(5)20)22-13-9-3/h8,10,21-22H,2,4-5,7,9,11-15,20H2,1,3,6H3/b18-17-
InChIKeyVDYJUKABWITCHK-ZCXUNETKSA-N
MW305.51 g/mol
LogP3.67
Rot. Bonds13

About (2E)-3-ethenyl-1-N-methyl-5-prop-2-enyl-5-N,2-dipropylhepta-2,6-diene-1,5,6-triamine

(2E)-3-ethenyl-1-N-methyl-5-prop-2-enyl-5-N,2-dipropylhepta-2,6-diene-1,5,6-triamine (PubChem CID 126748513) has the molecular formula C19H35N3 and a molecular weight of 305.51 g/mol. Its IUPAC name is (2E)-3-ethenyl-1-N-methyl-5-prop-2-enyl-5-N,2-dipropylhepta-2,6-diene-1,5,6-triamine.

Molecular Properties

Compound Name(2E)-3-ethenyl-1-N-methyl-5-prop-2-enyl-5-N,2-dipropylhepta-2,6-diene-1,5,6-triamine
PubChem CID126748513
Molecular FormulaC19H35N3
Molecular Weight305.51 g/mol
Exact Mass305.28
IUPAC Name(2E)-3-ethenyl-1-N-methyl-5-prop-2-enyl-5-N,2-dipropylhepta-2,6-diene-1,5,6-triamine
SMILESC=CCC(C/C(C=C)=C(/CCC)CNC)(NCCC)C(=C)N
InChIInChI=1S/C19H35N3/c1-7-11-18(15-21-6)17(10-4)14-19(12-8-2,16(5)20)22-13-9-3/h8,10,21-22H,2,4-5,7,9,11-15,20H2,1,3,6H3/b18-17-
InChIKeyVDYJUKABWITCHK-ZCXUNETKSA-N
XLogP3.67
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.51
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E)-3-ethenyl-1-N-methyl-5-prop-2-enyl-5-N,2-dipropylhepta-2,6-diene-1,5,6-triamine?
The IUPAC name of (2E)-3-ethenyl-1-N-methyl-5-prop-2-enyl-5-N,2-dipropylhepta-2,6-diene-1,5,6-triamine (CID 126748513) is (2E)-3-ethenyl-1-N-methyl-5-prop-2-enyl-5-N,2-dipropylhepta-2,6-diene-1,5,6-triamine.
What is the SMILES notation for (2E)-3-ethenyl-1-N-methyl-5-prop-2-enyl-5-N,2-dipropylhepta-2,6-diene-1,5,6-triamine?
The canonical SMILES for (2E)-3-ethenyl-1-N-methyl-5-prop-2-enyl-5-N,2-dipropylhepta-2,6-diene-1,5,6-triamine is C=CCC(C/C(C=C)=C(/CCC)CNC)(NCCC)C(=C)N.
What is the InChIKey of (2E)-3-ethenyl-1-N-methyl-5-prop-2-enyl-5-N,2-dipropylhepta-2,6-diene-1,5,6-triamine?
The InChIKey is VDYJUKABWITCHK-ZCXUNETKSA-N. The full InChI is InChI=1S/C19H35N3/c1-7-11-18(15-21-6)17(10-4)14-19(12-8-2,16(5)20)22-13-9-3/h8,10,21-22H,2,4-5,7,9,11-15,20H2,1,3,6H3/b18-17-.
What are the key properties of (2E)-3-ethenyl-1-N-methyl-5-prop-2-enyl-5-N,2-dipropylhepta-2,6-diene-1,5,6-triamine?
(2E)-3-ethenyl-1-N-methyl-5-prop-2-enyl-5-N,2-dipropylhepta-2,6-diene-1,5,6-triamine has a molecular weight of 305.51 g/mol, XLogP of 3.67, 13 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-3-ethenyl-1-N-methyl-5-prop-2-enyl-5-N,2-dipropylhepta-2,6-diene-1,5,6-triamine is sourced from PubChem (CID 126748513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).