(2Z,4Z)-3-methanimidoyl-N-methyl-N-(2-methylpropyl)hepta-2,4-dien-2-amine

C13H24N2 — CID 154954536

IUPAC(2Z,4Z)-3-methanimidoyl-N-methyl-N-(2-methylpropyl)hepta-2,4-dien-2-amine
SMILES[H]/N=C/C(/C=C\CC)=C(/C)N(C)CC(C)C
InChIInChI=1S/C13H24N2/c1-6-7-8-13(9-14)12(4)15(5)10-11(2)3/h7-9,11,14H,6,10H2,1-5H3/b8-7-,13-12-,14-9+
InChIKeyYHTOUTCSLNHQGK-ZEBFBMFRSA-N
MW208.35 g/mol
LogP3.46
Rot. Bonds6

About (2Z,4Z)-3-methanimidoyl-N-methyl-N-(2-methylpropyl)hepta-2,4-dien-2-amine

(2Z,4Z)-3-methanimidoyl-N-methyl-N-(2-methylpropyl)hepta-2,4-dien-2-amine (PubChem CID 154954536) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is (2Z,4Z)-3-methanimidoyl-N-methyl-N-(2-methylpropyl)hepta-2,4-dien-2-amine.

Molecular Properties

Compound Name(2Z,4Z)-3-methanimidoyl-N-methyl-N-(2-methylpropyl)hepta-2,4-dien-2-amine
PubChem CID154954536
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name(2Z,4Z)-3-methanimidoyl-N-methyl-N-(2-methylpropyl)hepta-2,4-dien-2-amine
SMILES[H]/N=C/C(/C=C\CC)=C(/C)N(C)CC(C)C
InChIInChI=1S/C13H24N2/c1-6-7-8-13(9-14)12(4)15(5)10-11(2)3/h7-9,11,14H,6,10H2,1-5H3/b8-7-,13-12-,14-9+
InChIKeyYHTOUTCSLNHQGK-ZEBFBMFRSA-N
XLogP3.46
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.46
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

(1-butyl-2H-pyridin-5-yl)methanimine
CID 53974862
[1-methyl-4-[(Z)-prop-1-enyl]-2,5-dihydropyrrol-3-yl]methanimine
CID 89046829
(2E,4Z)-3-[(Z)-3-imino-2-methylprop-1-enyl]hepta-2,4,6-trien-2-amine
CID 117617001
(E)-1-imino-N,4-dimethyl-N-propylpent-2-en-3-amine
CID 123719806
(3Z,5Z)-2-imino-4-N-methyl-4-N-(2-methylpropyl)hepta-3,5-diene-3,4-diamine
CID 126599359
(7R)-3,7-dimethyl-2-(methyliminomethyl)cyclohepta-1,3,5-trien-1-amine
CID 130225091
(2E,4Z)-1-imino-N,4,7-trimethyl-N-[(3E)-2-methylpenta-1,3-dien-3-yl]octa-2,4,7-trien-3-amine
CID 132044174
(2E,4E,6Z)-3-methanimidoyl-N-methylocta-2,4,6-trien-4-amine
CID 132064933
N-ethyl-N-methyl-6-[(1E,3Z)-1-(methylamino)penta-1,3-dien-2-yl]-4H-azepin-5-amine
CID 143423883
ethane;(3E,5E)-5-methanimidoyl-N-methylhepta-1,3,5-trien-4-amine
CID 144786515
(2Z,4Z)-3-methanimidoyl-N,N-di(propan-2-yl)hepta-2,4,6-trien-2-amine
CID 145582839
(2Z,5Z,7Z)-1-imino-N,N-dimethyl-4-methylidenedeca-2,5,7-trien-3-amine
CID 146522400

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-3-methanimidoyl-N-methyl-N-(2-methylpropyl)hepta-2,4-dien-2-amine?
The IUPAC name of (2Z,4Z)-3-methanimidoyl-N-methyl-N-(2-methylpropyl)hepta-2,4-dien-2-amine (CID 154954536) is (2Z,4Z)-3-methanimidoyl-N-methyl-N-(2-methylpropyl)hepta-2,4-dien-2-amine.
What is the SMILES notation for (2Z,4Z)-3-methanimidoyl-N-methyl-N-(2-methylpropyl)hepta-2,4-dien-2-amine?
The canonical SMILES for (2Z,4Z)-3-methanimidoyl-N-methyl-N-(2-methylpropyl)hepta-2,4-dien-2-amine is [H]/N=C/C(/C=C\CC)=C(/C)N(C)CC(C)C.
What is the InChIKey of (2Z,4Z)-3-methanimidoyl-N-methyl-N-(2-methylpropyl)hepta-2,4-dien-2-amine?
The InChIKey is YHTOUTCSLNHQGK-ZEBFBMFRSA-N. The full InChI is InChI=1S/C13H24N2/c1-6-7-8-13(9-14)12(4)15(5)10-11(2)3/h7-9,11,14H,6,10H2,1-5H3/b8-7-,13-12-,14-9+.
What are the key properties of (2Z,4Z)-3-methanimidoyl-N-methyl-N-(2-methylpropyl)hepta-2,4-dien-2-amine?
(2Z,4Z)-3-methanimidoyl-N-methyl-N-(2-methylpropyl)hepta-2,4-dien-2-amine has a molecular weight of 208.35 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-3-methanimidoyl-N-methyl-N-(2-methylpropyl)hepta-2,4-dien-2-amine is sourced from PubChem (CID 154954536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).