2,4-dimethyl-N-[(2Z,4Z)-3-methyl-5-phenylpenta-2,4-dienyl]pentan-1-amine;ethane

C21H35N — CID 144530858

IUPAC2,4-dimethyl-N-[(2Z,4Z)-3-methyl-5-phenylpenta-2,4-dienyl]pentan-1-amine;ethane
SMILESCC.CC(/C=C\c1ccccc1)=C/CNCC(C)CC(C)C
InChIInChI=1S/C19H29N.C2H6/c1-16(2)14-18(4)15-20-13-12-17(3)10-11-19-8-6-5-7-9-19;1-2/h5-12,16,18,20H,13-15H2,1-4H3;1-2H3/b11-10-,17-12-;
InChIKeyFDMOZCQYBARMTK-AKNUIGCDSA-N
MW301.52 g/mol
LogP5.94
Rot. Bonds8

About 2,4-dimethyl-N-[(2Z,4Z)-3-methyl-5-phenylpenta-2,4-dienyl]pentan-1-amine;ethane

2,4-dimethyl-N-[(2Z,4Z)-3-methyl-5-phenylpenta-2,4-dienyl]pentan-1-amine;ethane (PubChem CID 144530858) has the molecular formula C21H35N and a molecular weight of 301.52 g/mol. Its IUPAC name is 2,4-dimethyl-N-[(2Z,4Z)-3-methyl-5-phenylpenta-2,4-dienyl]pentan-1-amine;ethane.

Molecular Properties

Compound Name2,4-dimethyl-N-[(2Z,4Z)-3-methyl-5-phenylpenta-2,4-dienyl]pentan-1-amine;ethane
PubChem CID144530858
Molecular FormulaC21H35N
Molecular Weight301.52 g/mol
Exact Mass301.28
IUPAC Name2,4-dimethyl-N-[(2Z,4Z)-3-methyl-5-phenylpenta-2,4-dienyl]pentan-1-amine;ethane
SMILESCC.CC(/C=C\c1ccccc1)=C/CNCC(C)CC(C)C
InChIInChI=1S/C19H29N.C2H6/c1-16(2)14-18(4)15-20-13-12-17(3)10-11-19-8-6-5-7-9-19;1-2/h5-12,16,18,20H,13-15H2,1-4H3;1-2H3/b11-10-,17-12-;
InChIKeyFDMOZCQYBARMTK-AKNUIGCDSA-N
XLogP5.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.52
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,4-dimethyl-N-[(2Z,4Z)-3-methyl-5-phenylpenta-2,4-dienyl]pentan-1-amine
CID 144530859
2-methyl-3-(3-phenylprop-2-enylamino)propan-1-ol
CID 76950990
(5E,7E)-2,6-dimethyl-8-phenylocta-5,7-dien-4-one
CID 13383969
(1Z,3Z)-N,2-dimethyl-4-phenylbuta-1,3-dien-1-amine
CID 166740915
2,4-dimethyl-N-(2-phenylpropyl)pentan-1-amine
CID 114200183
3-methyl-N-[(E)-3-phenylprop-2-enyl]but-2-en-1-amine
CID 103527857
N-(1-amino-3-methylbutyl)-3-phenylprop-2-enamide;hydrochloride
CID 69039299
[5-(benzenesulfonyl)-3-methylpenta-1,3-dienyl]benzene
CID 73004123
(3-methyl-6-phenylhexa-1,3,5-trienyl)benzene
CID 618811
(Z)-5-methyl-1-phenylhex-1-en-3-one
CID 92529574
1-[(2Z,4Z)-3-methyl-5-phenylpenta-2,4-dienyl]-4-phenylpyridin-1-ium
CID 23242474
methyl (2S)-4-methyl-2-[[(E)-3-phenylprop-2-enoyl]amino]pentanoate
CID 6449731

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[(2Z,4Z)-3-methyl-5-phenylpenta-2,4-dienyl]pentan-1-amine;ethane?
The IUPAC name of 2,4-dimethyl-N-[(2Z,4Z)-3-methyl-5-phenylpenta-2,4-dienyl]pentan-1-amine;ethane (CID 144530858) is 2,4-dimethyl-N-[(2Z,4Z)-3-methyl-5-phenylpenta-2,4-dienyl]pentan-1-amine;ethane.
What is the SMILES notation for 2,4-dimethyl-N-[(2Z,4Z)-3-methyl-5-phenylpenta-2,4-dienyl]pentan-1-amine;ethane?
The canonical SMILES for 2,4-dimethyl-N-[(2Z,4Z)-3-methyl-5-phenylpenta-2,4-dienyl]pentan-1-amine;ethane is CC.CC(/C=C\c1ccccc1)=C/CNCC(C)CC(C)C.
What is the InChIKey of 2,4-dimethyl-N-[(2Z,4Z)-3-methyl-5-phenylpenta-2,4-dienyl]pentan-1-amine;ethane?
The InChIKey is FDMOZCQYBARMTK-AKNUIGCDSA-N. The full InChI is InChI=1S/C19H29N.C2H6/c1-16(2)14-18(4)15-20-13-12-17(3)10-11-19-8-6-5-7-9-19;1-2/h5-12,16,18,20H,13-15H2,1-4H3;1-2H3/b11-10-,17-12-;.
What are the key properties of 2,4-dimethyl-N-[(2Z,4Z)-3-methyl-5-phenylpenta-2,4-dienyl]pentan-1-amine;ethane?
2,4-dimethyl-N-[(2Z,4Z)-3-methyl-5-phenylpenta-2,4-dienyl]pentan-1-amine;ethane has a molecular weight of 301.52 g/mol, XLogP of 5.94, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[(2Z,4Z)-3-methyl-5-phenylpenta-2,4-dienyl]pentan-1-amine;ethane is sourced from PubChem (CID 144530858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).