(1Z,3Z)-N-methyl-N'-(5-methylundeca-2,4-dien-6-yl)buta-1,3-diene-1,4-diamine;1-prop-2-enoxybut-2-ene

C24H42N2O — CID 91314549

IUPAC(1Z,3Z)-N-methyl-N'-(5-methylundeca-2,4-dien-6-yl)buta-1,3-diene-1,4-diamine;1-prop-2-enoxybut-2-ene
SMILESC=CCOCC=CC.CC=CC=C(C)C(CCCCC)N/C=C\C=C/NC
InChIInChI=1S/C17H30N2.C7H12O/c1-5-7-9-13-17(16(3)12-8-6-2)19-15-11-10-14-18-4;1-3-5-7-8-6-4-2/h6,8,10-12,14-15,17-19H,5,7,9,13H2,1-4H3;3-5H,2,6-7H2,1H3/b8-6?,14-10-,15-11-,16-12?;
InChIKeyZRTZMXSLKUBVRU-DPJIJGDESA-N
MW374.61 g/mol
LogP6.06
Rot. Bonds14

About (1Z,3Z)-N-methyl-N'-(5-methylundeca-2,4-dien-6-yl)buta-1,3-diene-1,4-diamine;1-prop-2-enoxybut-2-ene

(1Z,3Z)-N-methyl-N'-(5-methylundeca-2,4-dien-6-yl)buta-1,3-diene-1,4-diamine;1-prop-2-enoxybut-2-ene (PubChem CID 91314549) has the molecular formula C24H42N2O and a molecular weight of 374.61 g/mol. Its IUPAC name is (1Z,3Z)-N-methyl-N'-(5-methylundeca-2,4-dien-6-yl)buta-1,3-diene-1,4-diamine;1-prop-2-enoxybut-2-ene.

Molecular Properties

Compound Name(1Z,3Z)-N-methyl-N'-(5-methylundeca-2,4-dien-6-yl)buta-1,3-diene-1,4-diamine;1-prop-2-enoxybut-2-ene
PubChem CID91314549
Molecular FormulaC24H42N2O
Molecular Weight374.61 g/mol
Exact Mass374.33
IUPAC Name(1Z,3Z)-N-methyl-N'-(5-methylundeca-2,4-dien-6-yl)buta-1,3-diene-1,4-diamine;1-prop-2-enoxybut-2-ene
SMILESC=CCOCC=CC.CC=CC=C(C)C(CCCCC)N/C=C\C=C/NC
InChIInChI=1S/C17H30N2.C7H12O/c1-5-7-9-13-17(16(3)12-8-6-2)19-15-11-10-14-18-4;1-3-5-7-8-6-4-2/h6,8,10-12,14-15,17-19H,5,7,9,13H2,1-4H3;3-5H,2,6-7H2,1H3/b8-6?,14-10-,15-11-,16-12?;
InChIKeyZRTZMXSLKUBVRU-DPJIJGDESA-N
XLogP6.06
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.61
LogP ≤ 56.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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,3Z)-N-methyl-N'-(5-methylundeca-2,4-dien-6-yl)buta-1,3-diene-1,4-diamine;1-prop-2-enoxybut-2-ene?
The IUPAC name of (1Z,3Z)-N-methyl-N'-(5-methylundeca-2,4-dien-6-yl)buta-1,3-diene-1,4-diamine;1-prop-2-enoxybut-2-ene (CID 91314549) is (1Z,3Z)-N-methyl-N'-(5-methylundeca-2,4-dien-6-yl)buta-1,3-diene-1,4-diamine;1-prop-2-enoxybut-2-ene.
What is the SMILES notation for (1Z,3Z)-N-methyl-N'-(5-methylundeca-2,4-dien-6-yl)buta-1,3-diene-1,4-diamine;1-prop-2-enoxybut-2-ene?
The canonical SMILES for (1Z,3Z)-N-methyl-N'-(5-methylundeca-2,4-dien-6-yl)buta-1,3-diene-1,4-diamine;1-prop-2-enoxybut-2-ene is C=CCOCC=CC.CC=CC=C(C)C(CCCCC)N/C=C\C=C/NC.
What is the InChIKey of (1Z,3Z)-N-methyl-N'-(5-methylundeca-2,4-dien-6-yl)buta-1,3-diene-1,4-diamine;1-prop-2-enoxybut-2-ene?
The InChIKey is ZRTZMXSLKUBVRU-DPJIJGDESA-N. The full InChI is InChI=1S/C17H30N2.C7H12O/c1-5-7-9-13-17(16(3)12-8-6-2)19-15-11-10-14-18-4;1-3-5-7-8-6-4-2/h6,8,10-12,14-15,17-19H,5,7,9,13H2,1-4H3;3-5H,2,6-7H2,1H3/b8-6?,14-10-,15-11-,16-12?;.
What are the key properties of (1Z,3Z)-N-methyl-N'-(5-methylundeca-2,4-dien-6-yl)buta-1,3-diene-1,4-diamine;1-prop-2-enoxybut-2-ene?
(1Z,3Z)-N-methyl-N'-(5-methylundeca-2,4-dien-6-yl)buta-1,3-diene-1,4-diamine;1-prop-2-enoxybut-2-ene has a molecular weight of 374.61 g/mol, XLogP of 6.06, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-N-methyl-N'-(5-methylundeca-2,4-dien-6-yl)buta-1,3-diene-1,4-diamine;1-prop-2-enoxybut-2-ene is sourced from PubChem (CID 91314549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).