(1Z,3E,5Z)-1-N'-[1-(butylamino)but-3-enyl]-1-N,1-N'-dimethyl-3-prop-2-enyldeca-1,3,5-triene-1,1-diamine

C23H41N3 — CID 129089599

IUPAC(1Z,3E,5Z)-1-N'-[1-(butylamino)but-3-enyl]-1-N,1-N'-dimethyl-3-prop-2-enyldeca-1,3,5-triene-1,1-diamine
SMILESC=CCC(/C=C(/NC)N(C)C(CC=C)NCCCC)=C\C=C/CCCC
InChIInChI=1S/C23H41N3/c1-7-11-13-14-15-18-21(16-9-3)20-23(24-5)26(6)22(17-10-4)25-19-12-8-2/h9-10,14-15,18,20,22,24-25H,3-4,7-8,11-13,16-17,19H2,1-2,5-6H3/b15-14-,21-18+,23-20-
InChIKeyDATHNOWUPPUBQX-APXZSWKOSA-N
MW359.60 g/mol
LogP5.52
Rot. Bonds16

About (1Z,3E,5Z)-1-N'-[1-(butylamino)but-3-enyl]-1-N,1-N'-dimethyl-3-prop-2-enyldeca-1,3,5-triene-1,1-diamine

(1Z,3E,5Z)-1-N'-[1-(butylamino)but-3-enyl]-1-N,1-N'-dimethyl-3-prop-2-enyldeca-1,3,5-triene-1,1-diamine (PubChem CID 129089599) has the molecular formula C23H41N3 and a molecular weight of 359.60 g/mol. Its IUPAC name is (1Z,3E,5Z)-1-N'-[1-(butylamino)but-3-enyl]-1-N,1-N'-dimethyl-3-prop-2-enyldeca-1,3,5-triene-1,1-diamine.

Molecular Properties

Compound Name(1Z,3E,5Z)-1-N'-[1-(butylamino)but-3-enyl]-1-N,1-N'-dimethyl-3-prop-2-enyldeca-1,3,5-triene-1,1-diamine
PubChem CID129089599
Molecular FormulaC23H41N3
Molecular Weight359.60 g/mol
Exact Mass359.33
IUPAC Name(1Z,3E,5Z)-1-N'-[1-(butylamino)but-3-enyl]-1-N,1-N'-dimethyl-3-prop-2-enyldeca-1,3,5-triene-1,1-diamine
SMILESC=CCC(/C=C(/NC)N(C)C(CC=C)NCCCC)=C\C=C/CCCC
InChIInChI=1S/C23H41N3/c1-7-11-13-14-15-18-21(16-9-3)20-23(24-5)26(6)22(17-10-4)25-19-12-8-2/h9-10,14-15,18,20,22,24-25H,3-4,7-8,11-13,16-17,19H2,1-2,5-6H3/b15-14-,21-18+,23-20-
InChIKeyDATHNOWUPPUBQX-APXZSWKOSA-N
XLogP5.52
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.60
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'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 (1Z,3E,5Z)-1-N'-[1-(butylamino)but-3-enyl]-1-N,1-N'-dimethyl-3-prop-2-enyldeca-1,3,5-triene-1,1-diamine?
The IUPAC name of (1Z,3E,5Z)-1-N'-[1-(butylamino)but-3-enyl]-1-N,1-N'-dimethyl-3-prop-2-enyldeca-1,3,5-triene-1,1-diamine (CID 129089599) is (1Z,3E,5Z)-1-N'-[1-(butylamino)but-3-enyl]-1-N,1-N'-dimethyl-3-prop-2-enyldeca-1,3,5-triene-1,1-diamine.
What is the SMILES notation for (1Z,3E,5Z)-1-N'-[1-(butylamino)but-3-enyl]-1-N,1-N'-dimethyl-3-prop-2-enyldeca-1,3,5-triene-1,1-diamine?
The canonical SMILES for (1Z,3E,5Z)-1-N'-[1-(butylamino)but-3-enyl]-1-N,1-N'-dimethyl-3-prop-2-enyldeca-1,3,5-triene-1,1-diamine is C=CCC(/C=C(/NC)N(C)C(CC=C)NCCCC)=C\C=C/CCCC.
What is the InChIKey of (1Z,3E,5Z)-1-N'-[1-(butylamino)but-3-enyl]-1-N,1-N'-dimethyl-3-prop-2-enyldeca-1,3,5-triene-1,1-diamine?
The InChIKey is DATHNOWUPPUBQX-APXZSWKOSA-N. The full InChI is InChI=1S/C23H41N3/c1-7-11-13-14-15-18-21(16-9-3)20-23(24-5)26(6)22(17-10-4)25-19-12-8-2/h9-10,14-15,18,20,22,24-25H,3-4,7-8,11-13,16-17,19H2,1-2,5-6H3/b15-14-,21-18+,23-20-.
What are the key properties of (1Z,3E,5Z)-1-N'-[1-(butylamino)but-3-enyl]-1-N,1-N'-dimethyl-3-prop-2-enyldeca-1,3,5-triene-1,1-diamine?
(1Z,3E,5Z)-1-N'-[1-(butylamino)but-3-enyl]-1-N,1-N'-dimethyl-3-prop-2-enyldeca-1,3,5-triene-1,1-diamine has a molecular weight of 359.60 g/mol, XLogP of 5.52, 16 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E,5Z)-1-N'-[1-(butylamino)but-3-enyl]-1-N,1-N'-dimethyl-3-prop-2-enyldeca-1,3,5-triene-1,1-diamine is sourced from PubChem (CID 129089599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).