(3E,6Z)-6-[4-[[[(Z)-hex-4-en-3-yl]amino]methyl]-1,2,4-triazol-3-yl]-N,N-dimethyl-3-pent-2-enyldeca-3,6-dien-1-amine

C26H45N5 — CID 146514435

IUPAC(3E,6Z)-6-[4-[[[(Z)-hex-4-en-3-yl]amino]methyl]-1,2,4-triazol-3-yl]-N,N-dimethyl-3-pent-2-enyldeca-3,6-dien-1-amine
SMILESC/C=C\C(CC)NCn1cnnc1/C(=C\CCC)C/C=C(\CC=CCC)CCN(C)C
InChIInChI=1S/C26H45N5/c1-7-11-13-15-23(19-20-30(5)6)17-18-24(16-12-8-2)26-29-28-22-31(26)21-27-25(10-4)14-9-3/h9,11,13-14,16-17,22,25,27H,7-8,10,12,15,18-21H2,1-6H3/b13-11?,14-9-,23-17+,24-16-
InChIKeySZYBHOUZSBKHCU-VFLLUMJUSA-N
MW427.68 g/mol
LogP5.99
Rot. Bonds16

About (3E,6Z)-6-[4-[[[(Z)-hex-4-en-3-yl]amino]methyl]-1,2,4-triazol-3-yl]-N,N-dimethyl-3-pent-2-enyldeca-3,6-dien-1-amine

(3E,6Z)-6-[4-[[[(Z)-hex-4-en-3-yl]amino]methyl]-1,2,4-triazol-3-yl]-N,N-dimethyl-3-pent-2-enyldeca-3,6-dien-1-amine (PubChem CID 146514435) has the molecular formula C26H45N5 and a molecular weight of 427.68 g/mol. Its IUPAC name is (3E,6Z)-6-[4-[[[(Z)-hex-4-en-3-yl]amino]methyl]-1,2,4-triazol-3-yl]-N,N-dimethyl-3-pent-2-enyldeca-3,6-dien-1-amine.

Molecular Properties

Compound Name(3E,6Z)-6-[4-[[[(Z)-hex-4-en-3-yl]amino]methyl]-1,2,4-triazol-3-yl]-N,N-dimethyl-3-pent-2-enyldeca-3,6-dien-1-amine
PubChem CID146514435
Molecular FormulaC26H45N5
Molecular Weight427.68 g/mol
Exact Mass427.37
IUPAC Name(3E,6Z)-6-[4-[[[(Z)-hex-4-en-3-yl]amino]methyl]-1,2,4-triazol-3-yl]-N,N-dimethyl-3-pent-2-enyldeca-3,6-dien-1-amine
SMILESC/C=C\C(CC)NCn1cnnc1/C(=C\CCC)C/C=C(\CC=CCC)CCN(C)C
InChIInChI=1S/C26H45N5/c1-7-11-13-15-23(19-20-30(5)6)17-18-24(16-12-8-2)26-29-28-22-31(26)21-27-25(10-4)14-9-3/h9,11,13-14,16-17,22,25,27H,7-8,10,12,15,18-21H2,1-6H3/b13-11?,14-9-,23-17+,24-16-
InChIKeySZYBHOUZSBKHCU-VFLLUMJUSA-N
XLogP5.99
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.68
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (3E,6Z)-6-[4-[[[(Z)-hex-4-en-3-yl]amino]methyl]-1,2,4-triazol-3-yl]-N,N-dimethyl-3-pent-2-enyldeca-3,6-dien-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3E,6Z)-6-[4-[[[(Z)-hex-4-en-3-yl]amino]methyl]-1,2,4-triazol-3-yl]-N,N-dimethyl-3-pent-2-enyldeca-3,6-dien-1-amine?
The IUPAC name of (3E,6Z)-6-[4-[[[(Z)-hex-4-en-3-yl]amino]methyl]-1,2,4-triazol-3-yl]-N,N-dimethyl-3-pent-2-enyldeca-3,6-dien-1-amine (CID 146514435) is (3E,6Z)-6-[4-[[[(Z)-hex-4-en-3-yl]amino]methyl]-1,2,4-triazol-3-yl]-N,N-dimethyl-3-pent-2-enyldeca-3,6-dien-1-amine.
What is the SMILES notation for (3E,6Z)-6-[4-[[[(Z)-hex-4-en-3-yl]amino]methyl]-1,2,4-triazol-3-yl]-N,N-dimethyl-3-pent-2-enyldeca-3,6-dien-1-amine?
The canonical SMILES for (3E,6Z)-6-[4-[[[(Z)-hex-4-en-3-yl]amino]methyl]-1,2,4-triazol-3-yl]-N,N-dimethyl-3-pent-2-enyldeca-3,6-dien-1-amine is C/C=C\C(CC)NCn1cnnc1/C(=C\CCC)C/C=C(\CC=CCC)CCN(C)C.
What is the InChIKey of (3E,6Z)-6-[4-[[[(Z)-hex-4-en-3-yl]amino]methyl]-1,2,4-triazol-3-yl]-N,N-dimethyl-3-pent-2-enyldeca-3,6-dien-1-amine?
The InChIKey is SZYBHOUZSBKHCU-VFLLUMJUSA-N. The full InChI is InChI=1S/C26H45N5/c1-7-11-13-15-23(19-20-30(5)6)17-18-24(16-12-8-2)26-29-28-22-31(26)21-27-25(10-4)14-9-3/h9,11,13-14,16-17,22,25,27H,7-8,10,12,15,18-21H2,1-6H3/b13-11?,14-9-,23-17+,24-16-.
What are the key properties of (3E,6Z)-6-[4-[[[(Z)-hex-4-en-3-yl]amino]methyl]-1,2,4-triazol-3-yl]-N,N-dimethyl-3-pent-2-enyldeca-3,6-dien-1-amine?
(3E,6Z)-6-[4-[[[(Z)-hex-4-en-3-yl]amino]methyl]-1,2,4-triazol-3-yl]-N,N-dimethyl-3-pent-2-enyldeca-3,6-dien-1-amine has a molecular weight of 427.68 g/mol, XLogP of 5.99, 16 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,6Z)-6-[4-[[[(Z)-hex-4-en-3-yl]amino]methyl]-1,2,4-triazol-3-yl]-N,N-dimethyl-3-pent-2-enyldeca-3,6-dien-1-amine is sourced from PubChem (CID 146514435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).