(1Z,3Z)-N,2-dimethyl-3-(2-methylpropyl)-5-phenylhexa-1,3,5-trien-1-amine

C18H25N — CID 118903083

IUPAC(1Z,3Z)-N,2-dimethyl-3-(2-methylpropyl)-5-phenylhexa-1,3,5-trien-1-amine
SMILESC=C(/C=C(CC(C)C)\C(C)=C/NC)c1ccccc1
InChIInChI=1S/C18H25N/c1-14(2)11-18(16(4)13-19-5)12-15(3)17-9-7-6-8-10-17/h6-10,12-14,19H,3,11H2,1-2,4-5H3/b16-13-,18-12-
InChIKeyRTEIADXUBJSBAT-UJZUQUBNSA-N
MW255.41 g/mol
LogP4.80
Rot. Bonds6

About (1Z,3Z)-N,2-dimethyl-3-(2-methylpropyl)-5-phenylhexa-1,3,5-trien-1-amine

(1Z,3Z)-N,2-dimethyl-3-(2-methylpropyl)-5-phenylhexa-1,3,5-trien-1-amine (PubChem CID 118903083) has the molecular formula C18H25N and a molecular weight of 255.41 g/mol. Its IUPAC name is (1Z,3Z)-N,2-dimethyl-3-(2-methylpropyl)-5-phenylhexa-1,3,5-trien-1-amine.

Molecular Properties

Compound Name(1Z,3Z)-N,2-dimethyl-3-(2-methylpropyl)-5-phenylhexa-1,3,5-trien-1-amine
PubChem CID118903083
Molecular FormulaC18H25N
Molecular Weight255.41 g/mol
Exact Mass255.20
IUPAC Name(1Z,3Z)-N,2-dimethyl-3-(2-methylpropyl)-5-phenylhexa-1,3,5-trien-1-amine
SMILESC=C(/C=C(CC(C)C)\C(C)=C/NC)c1ccccc1
InChIInChI=1S/C18H25N/c1-14(2)11-18(16(4)13-19-5)12-15(3)17-9-7-6-8-10-17/h6-10,12-14,19H,3,11H2,1-2,4-5H3/b16-13-,18-12-
InChIKeyRTEIADXUBJSBAT-UJZUQUBNSA-N
XLogP4.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3Z,5Z)-2,5-dimethyl-4-(2-methylpropyl)hepta-1,3,5-triene
CID 164881280
(Z)-1-hydroxy-5-methyl-1-phenylhex-1-en-3-one
CID 5377692
18-methylnonadec-1-en-2-ylbenzene;12-methyltridec-1-en-2-ylbenzene
CID 173456642
1-(bromomethyl)-2-ethenylbenzene;2-methylprop-1-ene
CID 22617263
7-methyl-N-(2-phenylprop-2-enyl)octan-1-amine
CID 107814964
ethane;[(3E,5Z)-4-phenylhepta-1,3,5-trien-2-yl]benzene
CID 145063911
6-methyl-1-phenylheptan-1-one
CID 64505975
2-phenyl-N-prop-1-en-2-ylprop-2-en-1-amine
CID 134356693
(E)-3,4-dimethyl-1-phenyl-N-(1-phenylethenyl)pent-2-en-1-imine
CID 142539028
N-[(Z)-4-methylpentan-2-ylideneamino]benzamide
CID 6030985
18-methyl-1-phenylnonadecan-1-one
CID 141198244
N-(2-phenylprop-2-enyl)butan-2-amine
CID 81332865

Frequently Asked Questions

What is the IUPAC name of (1Z,3Z)-N,2-dimethyl-3-(2-methylpropyl)-5-phenylhexa-1,3,5-trien-1-amine?
The IUPAC name of (1Z,3Z)-N,2-dimethyl-3-(2-methylpropyl)-5-phenylhexa-1,3,5-trien-1-amine (CID 118903083) is (1Z,3Z)-N,2-dimethyl-3-(2-methylpropyl)-5-phenylhexa-1,3,5-trien-1-amine.
What is the SMILES notation for (1Z,3Z)-N,2-dimethyl-3-(2-methylpropyl)-5-phenylhexa-1,3,5-trien-1-amine?
The canonical SMILES for (1Z,3Z)-N,2-dimethyl-3-(2-methylpropyl)-5-phenylhexa-1,3,5-trien-1-amine is C=C(/C=C(CC(C)C)\C(C)=C/NC)c1ccccc1.
What is the InChIKey of (1Z,3Z)-N,2-dimethyl-3-(2-methylpropyl)-5-phenylhexa-1,3,5-trien-1-amine?
The InChIKey is RTEIADXUBJSBAT-UJZUQUBNSA-N. The full InChI is InChI=1S/C18H25N/c1-14(2)11-18(16(4)13-19-5)12-15(3)17-9-7-6-8-10-17/h6-10,12-14,19H,3,11H2,1-2,4-5H3/b16-13-,18-12-.
What are the key properties of (1Z,3Z)-N,2-dimethyl-3-(2-methylpropyl)-5-phenylhexa-1,3,5-trien-1-amine?
(1Z,3Z)-N,2-dimethyl-3-(2-methylpropyl)-5-phenylhexa-1,3,5-trien-1-amine has a molecular weight of 255.41 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-N,2-dimethyl-3-(2-methylpropyl)-5-phenylhexa-1,3,5-trien-1-amine is sourced from PubChem (CID 118903083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).