(Z)-1-[amino-[(2E,4Z)-hepta-2,4-dien-3-yl]amino]-3,3-difluoroprop-1-en-2-amine;ethane

C12H23F2N3 — CID 143410206

IUPAC(Z)-1-[amino-[(2E,4Z)-hepta-2,4-dien-3-yl]amino]-3,3-difluoroprop-1-en-2-amine;ethane
SMILESC/C=C(\C=C/CC)N(N)/C=C(\N)C(F)F.CC
InChIInChI=1S/C10H17F2N3.C2H6/c1-3-5-6-8(4-2)15(14)7-9(13)10(11)12;1-2/h4-7,10H,3,13-14H2,1-2H3;1-2H3/b6-5-,8-4+,9-7-;
InChIKeyCRJHEQXXYXSBHB-KLVSSZNKSA-N
MW247.33 g/mol
LogP3.12
Rot. Bonds5

About (Z)-1-[amino-[(2E,4Z)-hepta-2,4-dien-3-yl]amino]-3,3-difluoroprop-1-en-2-amine;ethane

(Z)-1-[amino-[(2E,4Z)-hepta-2,4-dien-3-yl]amino]-3,3-difluoroprop-1-en-2-amine;ethane (PubChem CID 143410206) has the molecular formula C12H23F2N3 and a molecular weight of 247.33 g/mol. Its IUPAC name is (Z)-1-[amino-[(2E,4Z)-hepta-2,4-dien-3-yl]amino]-3,3-difluoroprop-1-en-2-amine;ethane.

Molecular Properties

Compound Name(Z)-1-[amino-[(2E,4Z)-hepta-2,4-dien-3-yl]amino]-3,3-difluoroprop-1-en-2-amine;ethane
PubChem CID143410206
Molecular FormulaC12H23F2N3
Molecular Weight247.33 g/mol
Exact Mass247.19
IUPAC Name(Z)-1-[amino-[(2E,4Z)-hepta-2,4-dien-3-yl]amino]-3,3-difluoroprop-1-en-2-amine;ethane
SMILESC/C=C(\C=C/CC)N(N)/C=C(\N)C(F)F.CC
InChIInChI=1S/C10H17F2N3.C2H6/c1-3-5-6-8(4-2)15(14)7-9(13)10(11)12;1-2/h4-7,10H,3,13-14H2,1-2H3;1-2H3/b6-5-,8-4+,9-7-;
InChIKeyCRJHEQXXYXSBHB-KLVSSZNKSA-N
XLogP3.12
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.33
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (Z)-1-[amino-[(2E,4Z)-hepta-2,4-dien-3-yl]amino]-3,3-difluoroprop-1-en-2-amine;ethane with MolForge

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Related Compounds

(2S,3Z)-5-methyl-3-[2-methyl-2-[(Z)-1,1,1-trifluorobut-2-en-2-yl]hydrazinyl]hexa-3,5-dien-2-amine
CID 137447313
2-(trifluoromethyl)-2H-pyridine-1,4-diamine
CID 141002270
3-ethyl-4-methyl-5-[(1E,3Z)-2-(trifluoromethyl)hexa-1,3-dienyl]-1,2-dihydrotriazole
CID 178136812
3,4-dimethyl-5-[(1E,3Z)-2-(trifluoromethyl)hexa-1,3-dienyl]-1,2-dihydrotriazole;ethane
CID 178136820
ethane;3-ethyl-4-methyl-5-[(1E,3Z)-2-(trifluoromethyl)hexa-1,3-dienyl]-1,2-dihydrotriazole
CID 178136839
(Z)-1-[amino-[(2E,4Z)-hepta-2,4-dien-3-yl]amino]-3,3-difluoroprop-1-en-2-amine
CID 143410207
3,4-dimethyl-5-[(1E,3Z)-2-(trifluoromethyl)hexa-1,3-dienyl]-1,2-dihydrotriazole
CID 178136821
(2Z)-2-(1-aminopropylidene)pyridin-1-amine
CID 142619215
1-[(Z)-but-1-enyl]-1-[(3Z)-hexa-1,3-dien-3-yl]-2-methylhydrazine;ethane
CID 144672530
ethane;1-ethenyl-1-[(3Z)-hexa-1,3-dien-3-yl]-2-methylhydrazine
CID 145001559
ethane;1-[(3Z)-hexa-1,3-dien-3-yl]-2-methyl-1-[(Z)-prop-1-enyl]hydrazine
CID 145001618
(3Z,5Z)-4-[amino(ethenyl)amino]-2-methylhepta-3,5-dien-3-amine
CID 166773733

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[amino-[(2E,4Z)-hepta-2,4-dien-3-yl]amino]-3,3-difluoroprop-1-en-2-amine;ethane?
The IUPAC name of (Z)-1-[amino-[(2E,4Z)-hepta-2,4-dien-3-yl]amino]-3,3-difluoroprop-1-en-2-amine;ethane (CID 143410206) is (Z)-1-[amino-[(2E,4Z)-hepta-2,4-dien-3-yl]amino]-3,3-difluoroprop-1-en-2-amine;ethane.
What is the SMILES notation for (Z)-1-[amino-[(2E,4Z)-hepta-2,4-dien-3-yl]amino]-3,3-difluoroprop-1-en-2-amine;ethane?
The canonical SMILES for (Z)-1-[amino-[(2E,4Z)-hepta-2,4-dien-3-yl]amino]-3,3-difluoroprop-1-en-2-amine;ethane is C/C=C(\C=C/CC)N(N)/C=C(\N)C(F)F.CC.
What is the InChIKey of (Z)-1-[amino-[(2E,4Z)-hepta-2,4-dien-3-yl]amino]-3,3-difluoroprop-1-en-2-amine;ethane?
The InChIKey is CRJHEQXXYXSBHB-KLVSSZNKSA-N. The full InChI is InChI=1S/C10H17F2N3.C2H6/c1-3-5-6-8(4-2)15(14)7-9(13)10(11)12;1-2/h4-7,10H,3,13-14H2,1-2H3;1-2H3/b6-5-,8-4+,9-7-;.
What are the key properties of (Z)-1-[amino-[(2E,4Z)-hepta-2,4-dien-3-yl]amino]-3,3-difluoroprop-1-en-2-amine;ethane?
(Z)-1-[amino-[(2E,4Z)-hepta-2,4-dien-3-yl]amino]-3,3-difluoroprop-1-en-2-amine;ethane has a molecular weight of 247.33 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[amino-[(2E,4Z)-hepta-2,4-dien-3-yl]amino]-3,3-difluoroprop-1-en-2-amine;ethane is sourced from PubChem (CID 143410206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).