(1Z,3Z)-N,2-dimethyl-1-(2-methylphenyl)hexa-1,3-dien-1-amine

C15H21N — CID 167045869

IUPAC(1Z,3Z)-N,2-dimethyl-1-(2-methylphenyl)hexa-1,3-dien-1-amine
SMILESCC/C=C\C(C)=C(/NC)c1ccccc1C
InChIInChI=1S/C15H21N/c1-5-6-9-13(3)15(16-4)14-11-8-7-10-12(14)2/h6-11,16H,5H2,1-4H3/b9-6-,15-13-
InChIKeyCIZFYEGYXDKFMT-LTBHIABHSA-N
MW215.34 g/mol
LogP3.91
Rot. Bonds4

About (1Z,3Z)-N,2-dimethyl-1-(2-methylphenyl)hexa-1,3-dien-1-amine

(1Z,3Z)-N,2-dimethyl-1-(2-methylphenyl)hexa-1,3-dien-1-amine (PubChem CID 167045869) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is (1Z,3Z)-N,2-dimethyl-1-(2-methylphenyl)hexa-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z,3Z)-N,2-dimethyl-1-(2-methylphenyl)hexa-1,3-dien-1-amine
PubChem CID167045869
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name(1Z,3Z)-N,2-dimethyl-1-(2-methylphenyl)hexa-1,3-dien-1-amine
SMILESCC/C=C\C(C)=C(/NC)c1ccccc1C
InChIInChI=1S/C15H21N/c1-5-6-9-13(3)15(16-4)14-11-8-7-10-12(14)2/h6-11,16H,5H2,1-4H3/b9-6-,15-13-
InChIKeyCIZFYEGYXDKFMT-LTBHIABHSA-N
XLogP3.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.91
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

1-[(2E,4Z)-hepta-2,4-dien-3-yl]-2-methylbenzene
CID 143750255
ethane;(Z,2E)-2-ethylidene-1-(2-methylphenyl)hex-3-en-1-one
CID 142097365
acetylene;1-methyl-2-[(E)-pent-2-en-2-yl]benzene
CID 143336737
O-ethyl 2-methylbenzenecarbothioate
CID 54521413
(E)-1-(2-methylphenyl)hex-3-en-2-one
CID 103454249
(1E,3Z)-N,2-dimethyl-1-[(Z)-propylideneamino]hexa-1,3-dien-1-amine
CID 143838514
1-methyl-2-[(2E,4Z)-3-methylhexa-2,4-dien-2-yl]benzene
CID 142414325
(Z)-1-(2-methylphenyl)prop-1-ene-1,3-diamine
CID 129268082
1-[(E)-but-2-en-2-yl]-2-methylbenzene
CID 12835573
N-methyl-4-(2-methylphenyl)pent-3-en-1-amine
CID 79599588
1-(2-methylphenyl)hex-2-en-1-one
CID 66890387
1-methyl-2-[(2Z,4E,6Z)-5-methylocta-2,4,6-trien-4-yl]benzene
CID 144820853

Frequently Asked Questions

What is the IUPAC name of (1Z,3Z)-N,2-dimethyl-1-(2-methylphenyl)hexa-1,3-dien-1-amine?
The IUPAC name of (1Z,3Z)-N,2-dimethyl-1-(2-methylphenyl)hexa-1,3-dien-1-amine (CID 167045869) is (1Z,3Z)-N,2-dimethyl-1-(2-methylphenyl)hexa-1,3-dien-1-amine.
What is the SMILES notation for (1Z,3Z)-N,2-dimethyl-1-(2-methylphenyl)hexa-1,3-dien-1-amine?
The canonical SMILES for (1Z,3Z)-N,2-dimethyl-1-(2-methylphenyl)hexa-1,3-dien-1-amine is CC/C=C\C(C)=C(/NC)c1ccccc1C.
What is the InChIKey of (1Z,3Z)-N,2-dimethyl-1-(2-methylphenyl)hexa-1,3-dien-1-amine?
The InChIKey is CIZFYEGYXDKFMT-LTBHIABHSA-N. The full InChI is InChI=1S/C15H21N/c1-5-6-9-13(3)15(16-4)14-11-8-7-10-12(14)2/h6-11,16H,5H2,1-4H3/b9-6-,15-13-.
What are the key properties of (1Z,3Z)-N,2-dimethyl-1-(2-methylphenyl)hexa-1,3-dien-1-amine?
(1Z,3Z)-N,2-dimethyl-1-(2-methylphenyl)hexa-1,3-dien-1-amine has a molecular weight of 215.34 g/mol, XLogP of 3.91, 4 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-1-(2-methylphenyl)hexa-1,3-dien-1-amine is sourced from PubChem (CID 167045869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).