(2E,4Z)-2-methyl-N-[phenyl(phosphanyl)methyl]hexa-2,4-dien-1-amine;2-methylpropane

C18H30NP — CID 176995490

IUPAC(2E,4Z)-2-methyl-N-[phenyl(phosphanyl)methyl]hexa-2,4-dien-1-amine;2-methylpropane
SMILESC/C=C\C=C(/C)CNC(P)c1ccccc1.CC(C)C
InChIInChI=1S/C14H20NP.C4H10/c1-3-4-8-12(2)11-15-14(16)13-9-6-5-7-10-13;1-4(2)3/h3-10,14-15H,11,16H2,1-2H3;4H,1-3H3/b4-3-,12-8+;
InChIKeyMEMAIJUNNLZOBV-HVEZMERNSA-N
MW291.42 g/mol
LogP5.33
Rot. Bonds5

About (2E,4Z)-2-methyl-N-[phenyl(phosphanyl)methyl]hexa-2,4-dien-1-amine;2-methylpropane

(2E,4Z)-2-methyl-N-[phenyl(phosphanyl)methyl]hexa-2,4-dien-1-amine;2-methylpropane (PubChem CID 176995490) has the molecular formula C18H30NP and a molecular weight of 291.42 g/mol. Its IUPAC name is (2E,4Z)-2-methyl-N-[phenyl(phosphanyl)methyl]hexa-2,4-dien-1-amine;2-methylpropane.

Molecular Properties

Compound Name(2E,4Z)-2-methyl-N-[phenyl(phosphanyl)methyl]hexa-2,4-dien-1-amine;2-methylpropane
PubChem CID176995490
Molecular FormulaC18H30NP
Molecular Weight291.42 g/mol
Exact Mass291.21
IUPAC Name(2E,4Z)-2-methyl-N-[phenyl(phosphanyl)methyl]hexa-2,4-dien-1-amine;2-methylpropane
SMILESC/C=C\C=C(/C)CNC(P)c1ccccc1.CC(C)C
InChIInChI=1S/C14H20NP.C4H10/c1-3-4-8-12(2)11-15-14(16)13-9-6-5-7-10-13;1-4(2)3/h3-10,14-15H,11,16H2,1-2H3;4H,1-3H3/b4-3-,12-8+;
InChIKeyMEMAIJUNNLZOBV-HVEZMERNSA-N
XLogP5.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.42
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2E,4E)-2-ethenyl-N-(1-phenylethyl)hexa-2,4-dien-1-amine
CID 21102554
(2E,4Z)-2-[(E)-1-chloroprop-1-en-2-yl]-N-(1-phenylethyl)hexa-2,4-dien-1-amine;N-fluoro-N-methylmethanamine;formaldehyde
CID 143249851
4-methylocta-4,6-dien-3-ylbenzene
CID 123891099
ethane;[(4E,6Z)-4-ethylocta-4,6-dien-3-yl]benzene
CID 142101602
ethane;[[(1R)-1-phenylethyl]amino]methanol
CID 157126803
(2E)-2-ethenyl-N-(1-phenylethyl)penta-2,4-dien-1-amine
CID 143927593
[(2E,4Z)-hexa-2,4-dien-2-yl]-methyl-diphenylphosphanium
CID 170234341
2-methyl-N-(1-phenylethyl)prop-2-en-1-amine
CID 60684137
N-[phenyl(phosphanyl)methyl]butan-1-amine
CID 176995195
N-[(2E,4Z)-2-methylhexa-2,4-dienyl]-1-phenylethanimine
CID 144645018
1-amino-1-phenylocta-4,6-dien-2-ol
CID 123456345
(1S)-1-phenyl-2-(1-phenylethylamino)ethanol
CID 70464051

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-2-methyl-N-[phenyl(phosphanyl)methyl]hexa-2,4-dien-1-amine;2-methylpropane?
The IUPAC name of (2E,4Z)-2-methyl-N-[phenyl(phosphanyl)methyl]hexa-2,4-dien-1-amine;2-methylpropane (CID 176995490) is (2E,4Z)-2-methyl-N-[phenyl(phosphanyl)methyl]hexa-2,4-dien-1-amine;2-methylpropane.
What is the SMILES notation for (2E,4Z)-2-methyl-N-[phenyl(phosphanyl)methyl]hexa-2,4-dien-1-amine;2-methylpropane?
The canonical SMILES for (2E,4Z)-2-methyl-N-[phenyl(phosphanyl)methyl]hexa-2,4-dien-1-amine;2-methylpropane is C/C=C\C=C(/C)CNC(P)c1ccccc1.CC(C)C.
What is the InChIKey of (2E,4Z)-2-methyl-N-[phenyl(phosphanyl)methyl]hexa-2,4-dien-1-amine;2-methylpropane?
The InChIKey is MEMAIJUNNLZOBV-HVEZMERNSA-N. The full InChI is InChI=1S/C14H20NP.C4H10/c1-3-4-8-12(2)11-15-14(16)13-9-6-5-7-10-13;1-4(2)3/h3-10,14-15H,11,16H2,1-2H3;4H,1-3H3/b4-3-,12-8+;.
What are the key properties of (2E,4Z)-2-methyl-N-[phenyl(phosphanyl)methyl]hexa-2,4-dien-1-amine;2-methylpropane?
(2E,4Z)-2-methyl-N-[phenyl(phosphanyl)methyl]hexa-2,4-dien-1-amine;2-methylpropane has a molecular weight of 291.42 g/mol, XLogP of 5.33, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-2-methyl-N-[phenyl(phosphanyl)methyl]hexa-2,4-dien-1-amine;2-methylpropane is sourced from PubChem (CID 176995490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).