(2Z,4E)-5-(butan-2-ylideneamino)-N,4-dimethylhepta-2,4,6-trien-1-amine

C13H22N2 — CID 129084958

IUPAC(2Z,4E)-5-(butan-2-ylideneamino)-N,4-dimethylhepta-2,4,6-trien-1-amine
SMILESC=CC(/N=C(\C)CC)=C(C)\C=C/CNC
InChIInChI=1S/C13H22N2/c1-6-12(4)15-13(7-2)11(3)9-8-10-14-5/h7-9,14H,2,6,10H2,1,3-5H3/b9-8-,13-11+,15-12+
InChIKeyXKDOALAROSSQKA-KDXLAFLTSA-N
MW206.33 g/mol
LogP3.09
Rot. Bonds6

About (2Z,4E)-5-(butan-2-ylideneamino)-N,4-dimethylhepta-2,4,6-trien-1-amine

(2Z,4E)-5-(butan-2-ylideneamino)-N,4-dimethylhepta-2,4,6-trien-1-amine (PubChem CID 129084958) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is (2Z,4E)-5-(butan-2-ylideneamino)-N,4-dimethylhepta-2,4,6-trien-1-amine.

Molecular Properties

Compound Name(2Z,4E)-5-(butan-2-ylideneamino)-N,4-dimethylhepta-2,4,6-trien-1-amine
PubChem CID129084958
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name(2Z,4E)-5-(butan-2-ylideneamino)-N,4-dimethylhepta-2,4,6-trien-1-amine
SMILESC=CC(/N=C(\C)CC)=C(C)\C=C/CNC
InChIInChI=1S/C13H22N2/c1-6-12(4)15-13(7-2)11(3)9-8-10-14-5/h7-9,14H,2,6,10H2,1,3-5H3/b9-8-,13-11+,15-12+
InChIKeyXKDOALAROSSQKA-KDXLAFLTSA-N
XLogP3.09
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2Z)-1-[5-(6-fluoro-2,3-dihydropyridin-5-yl)-3-methylpyrrol-2-ylidene]-N,3-dimethylpenta-2,4-dien-2-amine
CID 143253059
(2Z,4E)-3-(ethylideneamino)-4-fluoro-N-methyl-2-[(Z)-prop-1-enyl]hexa-2,4-dien-1-amine
CID 170047278
N,4-dimethyl-10-methyliminoundeca-2,4,6,8-tetraen-2-amine
CID 53962751
N,4,5,6,7,8-hexamethyl-10-methyliminoundeca-2,4,6,8-tetraen-2-amine
CID 54531433
methyl-[(3E,5E)-6-(methylamino)hepta-3,5-dien-2-ylidene]azanium
CID 57895519
[6-(Ethylamino)-4-propylhepta-3,5-dien-2-ylidene]-methylazanium
CID 59120193
N,4-dimethyl-6-methyliminohepta-2,4-dien-2-amine
CID 59886162
Methyl-[4-methyl-6-(methylamino)hepta-3,5-dien-2-ylidene]azanium
CID 59957987
(Z)-3-N-methyl-2-[(Z)-prop-1-enyl]pent-2-ene-1,3-diamine
CID 89185746
(3Z,5E)-N,4,6-trimethyl-9-methyliminonona-3,5-dien-5-amine
CID 89390271
(3Z)-N-ethyl-5-methyl-3-[1-(propan-2-ylideneamino)ethenyl]hexa-3,5-dien-1-amine
CID 91426030
(2E,4E,6E)-N-methyl-2-[(E)-prop-1-enyl]-1-benzazocin-3-amine
CID 91870113

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-5-(butan-2-ylideneamino)-N,4-dimethylhepta-2,4,6-trien-1-amine?
The IUPAC name of (2Z,4E)-5-(butan-2-ylideneamino)-N,4-dimethylhepta-2,4,6-trien-1-amine (CID 129084958) is (2Z,4E)-5-(butan-2-ylideneamino)-N,4-dimethylhepta-2,4,6-trien-1-amine.
What is the SMILES notation for (2Z,4E)-5-(butan-2-ylideneamino)-N,4-dimethylhepta-2,4,6-trien-1-amine?
The canonical SMILES for (2Z,4E)-5-(butan-2-ylideneamino)-N,4-dimethylhepta-2,4,6-trien-1-amine is C=CC(/N=C(\C)CC)=C(C)\C=C/CNC.
What is the InChIKey of (2Z,4E)-5-(butan-2-ylideneamino)-N,4-dimethylhepta-2,4,6-trien-1-amine?
The InChIKey is XKDOALAROSSQKA-KDXLAFLTSA-N. The full InChI is InChI=1S/C13H22N2/c1-6-12(4)15-13(7-2)11(3)9-8-10-14-5/h7-9,14H,2,6,10H2,1,3-5H3/b9-8-,13-11+,15-12+.
What are the key properties of (2Z,4E)-5-(butan-2-ylideneamino)-N,4-dimethylhepta-2,4,6-trien-1-amine?
(2Z,4E)-5-(butan-2-ylideneamino)-N,4-dimethylhepta-2,4,6-trien-1-amine has a molecular weight of 206.33 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-5-(butan-2-ylideneamino)-N,4-dimethylhepta-2,4,6-trien-1-amine is sourced from PubChem (CID 129084958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).