N-[(1E,3Z)-1-aminohexa-1,3-dien-2-yl]-N-methylmethanimidamide

C8H15N3 — CID 143160360

IUPACN-[(1E,3Z)-1-aminohexa-1,3-dien-2-yl]-N-methylmethanimidamide
SMILES[H]/N=C/N(C)C(/C=C\CC)=C/N
InChIInChI=1S/C8H15N3/c1-3-4-5-8(6-9)11(2)7-10/h4-7,10H,3,9H2,1-2H3/b5-4-,8-6+,10-7+
InChIKeyAAXNDEOXIZCNKE-KRMUTCCGSA-N
MW153.23 g/mol
LogP1.29
Rot. Bonds4

About N-[(1E,3Z)-1-aminohexa-1,3-dien-2-yl]-N-methylmethanimidamide

N-[(1E,3Z)-1-aminohexa-1,3-dien-2-yl]-N-methylmethanimidamide (PubChem CID 143160360) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is N-[(1E,3Z)-1-aminohexa-1,3-dien-2-yl]-N-methylmethanimidamide.

Molecular Properties

Compound NameN-[(1E,3Z)-1-aminohexa-1,3-dien-2-yl]-N-methylmethanimidamide
PubChem CID143160360
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC NameN-[(1E,3Z)-1-aminohexa-1,3-dien-2-yl]-N-methylmethanimidamide
SMILES[H]/N=C/N(C)C(/C=C\CC)=C/N
InChIInChI=1S/C8H15N3/c1-3-4-5-8(6-9)11(2)7-10/h4-7,10H,3,9H2,1-2H3/b5-4-,8-6+,10-7+
InChIKeyAAXNDEOXIZCNKE-KRMUTCCGSA-N
XLogP1.29
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

1-methyl-1-[(3E,5Z)-octa-1,3,5-trien-3-yl]guanidine
CID 89328680
N-ethyl-N-octa-1,3,6-trien-2-ylmethanimidamide
CID 123701301
N-[(1Z,3E)-1-amino-2-methylhexa-1,3,5-trien-3-yl]-N'-methylmethanimidamide
CID 129288826
Ethane;(4-methyl-2-methylidene-1-pyridinyl)methanimine
CID 142392708
N-methyl-N-[(1E,4Z,6Z)-nona-1,4,6,8-tetraenyl]methanimidamide
CID 142976657
Ethane;(2-methylidene-1-pyridinyl)methanimine
CID 144750419
(5-Methyl-2-methylidene-1-pyridinyl)methanimine
CID 155372104
(1-Methanimidoyl-2-methyl-2-pyridinyl)azanium
CID 163904762
[(2E)-2-butylidene-1-pyridinyl]methanimine
CID 174321614
ethane;N-[(2Z,4E,6Z)-7-ethylnona-2,4,6,8-tetraen-4-yl]-N-[(Z)-prop-1-enyl]methanimidamide
CID 176578306
N-(3-aminoprop-1-en-2-yl)-N-[(2E,4Z)-2-ethenyl-4-methylhepta-2,4,6-trienyl]methanimidamide
CID 141995688
(4-Methyl-2-methylidene-1-pyridinyl)methanimine
CID 142392709

Frequently Asked Questions

What is the IUPAC name of N-[(1E,3Z)-1-aminohexa-1,3-dien-2-yl]-N-methylmethanimidamide?
The IUPAC name of N-[(1E,3Z)-1-aminohexa-1,3-dien-2-yl]-N-methylmethanimidamide (CID 143160360) is N-[(1E,3Z)-1-aminohexa-1,3-dien-2-yl]-N-methylmethanimidamide.
What is the SMILES notation for N-[(1E,3Z)-1-aminohexa-1,3-dien-2-yl]-N-methylmethanimidamide?
The canonical SMILES for N-[(1E,3Z)-1-aminohexa-1,3-dien-2-yl]-N-methylmethanimidamide is [H]/N=C/N(C)C(/C=C\CC)=C/N.
What is the InChIKey of N-[(1E,3Z)-1-aminohexa-1,3-dien-2-yl]-N-methylmethanimidamide?
The InChIKey is AAXNDEOXIZCNKE-KRMUTCCGSA-N. The full InChI is InChI=1S/C8H15N3/c1-3-4-5-8(6-9)11(2)7-10/h4-7,10H,3,9H2,1-2H3/b5-4-,8-6+,10-7+.
What are the key properties of N-[(1E,3Z)-1-aminohexa-1,3-dien-2-yl]-N-methylmethanimidamide?
N-[(1E,3Z)-1-aminohexa-1,3-dien-2-yl]-N-methylmethanimidamide has a molecular weight of 153.23 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E,3Z)-1-aminohexa-1,3-dien-2-yl]-N-methylmethanimidamide is sourced from PubChem (CID 143160360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).