(2Z,4Z)-N-(2,2-dimethylpropyl)-2-methanimidoyl-N-methylhexa-2,4-dien-1-amine

C13H24N2 — CID 118478105

IUPAC(2Z,4Z)-N-(2,2-dimethylpropyl)-2-methanimidoyl-N-methylhexa-2,4-dien-1-amine
SMILES[H]/N=C/C(=C\C=C/C)CN(C)CC(C)(C)C
InChIInChI=1S/C13H24N2/c1-6-7-8-12(9-14)10-15(5)11-13(2,3)4/h6-9,14H,10-11H2,1-5H3/b7-6-,12-8+,14-9+
InChIKeyYJJJDPZBODGRAP-WEYZUFBWSA-N
MW208.35 g/mol
LogP3.12
Rot. Bonds5

About (2Z,4Z)-N-(2,2-dimethylpropyl)-2-methanimidoyl-N-methylhexa-2,4-dien-1-amine

(2Z,4Z)-N-(2,2-dimethylpropyl)-2-methanimidoyl-N-methylhexa-2,4-dien-1-amine (PubChem CID 118478105) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is (2Z,4Z)-N-(2,2-dimethylpropyl)-2-methanimidoyl-N-methylhexa-2,4-dien-1-amine.

Molecular Properties

Compound Name(2Z,4Z)-N-(2,2-dimethylpropyl)-2-methanimidoyl-N-methylhexa-2,4-dien-1-amine
PubChem CID118478105
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name(2Z,4Z)-N-(2,2-dimethylpropyl)-2-methanimidoyl-N-methylhexa-2,4-dien-1-amine
SMILES[H]/N=C/C(=C\C=C/C)CN(C)CC(C)(C)C
InChIInChI=1S/C13H24N2/c1-6-7-8-12(9-14)10-15(5)11-13(2,3)4/h6-9,14H,10-11H2,1-5H3/b7-6-,12-8+,14-9+
InChIKeyYJJJDPZBODGRAP-WEYZUFBWSA-N
XLogP3.12
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.12
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,4Z)-2-ethenylhexa-2,4-dien-1-imine
CID 156799789
3-ethenylhepta-3,5-diene-1,2-diimine
CID 123395606
(3E,5Z)-1-imino-3-methanimidoylhepta-3,5-dien-2-one
CID 156556155
iodo 2-[2,2-dimethylpropyl(methyl)amino]acetate
CID 139316007
2-[(2-hydroxy-2-methylpropyl)-methylamino]ethanimidamide
CID 79387470
N,N'-bis(2,2-dimethylpropyl)-N,N'-dimethylmethanediamine
CID 159238333
2,2-dimethylpropyl N-[4-chloro-2-[(2E,4Z)-1-iminohexa-2,4-dien-2-yl]-1,3-thiazol-5-yl]-N-methylcarbamate
CID 126635292
(2Z,4Z)-2-(1-methoxyethenyl)hexa-2,4-dien-1-imine
CID 134286835
(3Z,5Z)-2-ethylidenehepta-3,5-dien-1-imine
CID 173488054
(2Z)-2-ethylidenepent-4-en-1-imine
CID 171644246
N-[dimethylamino-[2,2-dimethylpropyl(methyl)amino]methylidene]methanimidamide
CID 87279008
N'-[(2E,4Z)-1-iminohexa-2,4-dien-2-yl]-N-methylpropanediamide
CID 89467841

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-N-(2,2-dimethylpropyl)-2-methanimidoyl-N-methylhexa-2,4-dien-1-amine?
The IUPAC name of (2Z,4Z)-N-(2,2-dimethylpropyl)-2-methanimidoyl-N-methylhexa-2,4-dien-1-amine (CID 118478105) is (2Z,4Z)-N-(2,2-dimethylpropyl)-2-methanimidoyl-N-methylhexa-2,4-dien-1-amine.
What is the SMILES notation for (2Z,4Z)-N-(2,2-dimethylpropyl)-2-methanimidoyl-N-methylhexa-2,4-dien-1-amine?
The canonical SMILES for (2Z,4Z)-N-(2,2-dimethylpropyl)-2-methanimidoyl-N-methylhexa-2,4-dien-1-amine is [H]/N=C/C(=C\C=C/C)CN(C)CC(C)(C)C.
What is the InChIKey of (2Z,4Z)-N-(2,2-dimethylpropyl)-2-methanimidoyl-N-methylhexa-2,4-dien-1-amine?
The InChIKey is YJJJDPZBODGRAP-WEYZUFBWSA-N. The full InChI is InChI=1S/C13H24N2/c1-6-7-8-12(9-14)10-15(5)11-13(2,3)4/h6-9,14H,10-11H2,1-5H3/b7-6-,12-8+,14-9+.
What are the key properties of (2Z,4Z)-N-(2,2-dimethylpropyl)-2-methanimidoyl-N-methylhexa-2,4-dien-1-amine?
(2Z,4Z)-N-(2,2-dimethylpropyl)-2-methanimidoyl-N-methylhexa-2,4-dien-1-amine has a molecular weight of 208.35 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-N-(2,2-dimethylpropyl)-2-methanimidoyl-N-methylhexa-2,4-dien-1-amine is sourced from PubChem (CID 118478105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).