(4Z)-3-methyliminohepta-4,6-dien-1-amine;molecular hydrogen

C8H16N2 — CID 143115330

IUPAC(4Z)-3-methyliminohepta-4,6-dien-1-amine;molecular hydrogen
SMILESC=C/C=C\C(CCN)=N\C.[H][H]
InChIInChI=1S/C8H14N2.H2/c1-3-4-5-8(10-2)6-7-9;/h3-5H,1,6-7,9H2,2H3;1H/b5-4-,10-8-;
InChIKeyUWFTZTNNWJNDHL-BUVJRSHHSA-N
MW140.23 g/mol
LogP1.39
Rot. Bonds4

About (4Z)-3-methyliminohepta-4,6-dien-1-amine;molecular hydrogen

(4Z)-3-methyliminohepta-4,6-dien-1-amine;molecular hydrogen (PubChem CID 143115330) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is (4Z)-3-methyliminohepta-4,6-dien-1-amine;molecular hydrogen.

Molecular Properties

Compound Name(4Z)-3-methyliminohepta-4,6-dien-1-amine;molecular hydrogen
PubChem CID143115330
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name(4Z)-3-methyliminohepta-4,6-dien-1-amine;molecular hydrogen
SMILESC=C/C=C\C(CCN)=N\C.[H][H]
InChIInChI=1S/C8H14N2.H2/c1-3-4-5-8(10-2)6-7-9;/h3-5H,1,6-7,9H2,2H3;1H/b5-4-,10-8-;
InChIKeyUWFTZTNNWJNDHL-BUVJRSHHSA-N
XLogP1.39
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.39
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-[(6-Methylidenecyclohexa-2,4-dien-1-ylidene)amino]ethanamine
CID 68342709
8-Iminonona-3,5-dien-2-amine
CID 90857903
(Z)-4-methyliminohex-2-en-1-amine
CID 123191267
(3Z,6Z,8Z,11Z)-2-N-ethyl-1-N-methylcyclododeca-3,6,8,11-tetraene-1,2-diimine
CID 123206998
2-Methyliminohexa-3,5-dien-1-amine
CID 123554614
(3Z)-5-methyl-3-[(propan-2-ylideneamino)methyl]hepta-3,5-dien-2-imine
CID 123559099
1-(2,3-Dihydropyridin-6-yl)propan-2-amine
CID 123723453
(2R,4Z,6Z)-3-iminoocta-4,6-dien-2-amine
CID 124088764
(2S)-4-ethenyl-6-methyl-2,3-dihydropyridin-2-amine
CID 124095370
(1E,3Z)-2-[C,N-bis[(Z)-prop-1-enyl]carbonimidoyl]hexa-1,3,5-trien-1-amine
CID 129191557
N-[(4Z,6E)-octa-4,6-dienyl]cyclohexa-2,4-dien-1-imine
CID 132196674
(1Z,4Z)-3-methylimino-2-[(Z)-prop-1-enyl]hexa-1,4-dien-1-amine
CID 134286054

Frequently Asked Questions

What is the IUPAC name of (4Z)-3-methyliminohepta-4,6-dien-1-amine;molecular hydrogen?
The IUPAC name of (4Z)-3-methyliminohepta-4,6-dien-1-amine;molecular hydrogen (CID 143115330) is (4Z)-3-methyliminohepta-4,6-dien-1-amine;molecular hydrogen.
What is the SMILES notation for (4Z)-3-methyliminohepta-4,6-dien-1-amine;molecular hydrogen?
The canonical SMILES for (4Z)-3-methyliminohepta-4,6-dien-1-amine;molecular hydrogen is C=C/C=C\C(CCN)=N\C.[H][H].
What is the InChIKey of (4Z)-3-methyliminohepta-4,6-dien-1-amine;molecular hydrogen?
The InChIKey is UWFTZTNNWJNDHL-BUVJRSHHSA-N. The full InChI is InChI=1S/C8H14N2.H2/c1-3-4-5-8(10-2)6-7-9;/h3-5H,1,6-7,9H2,2H3;1H/b5-4-,10-8-;.
What are the key properties of (4Z)-3-methyliminohepta-4,6-dien-1-amine;molecular hydrogen?
(4Z)-3-methyliminohepta-4,6-dien-1-amine;molecular hydrogen has a molecular weight of 140.23 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-3-methyliminohepta-4,6-dien-1-amine;molecular hydrogen is sourced from PubChem (CID 143115330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).