(Z)-1-[amino(propan-2-yl)amino]-3,3-difluoroprop-1-en-2-amine

C6H13F2N3 — CID 156637586

IUPAC(Z)-1-[amino(propan-2-yl)amino]-3,3-difluoroprop-1-en-2-amine
SMILESCC(C)N(N)/C=C(\N)C(F)F
InChIInChI=1S/C6H13F2N3/c1-4(2)11(10)3-5(9)6(7)8/h3-4,6H,9-10H2,1-2H3/b5-3-
InChIKeyGLQGMTJAKKSPSY-HYXAFXHYSA-N
MW165.19 g/mol
LogP0.64
Rot. Bonds3

About (Z)-1-[amino(propan-2-yl)amino]-3,3-difluoroprop-1-en-2-amine

(Z)-1-[amino(propan-2-yl)amino]-3,3-difluoroprop-1-en-2-amine (PubChem CID 156637586) has the molecular formula C6H13F2N3 and a molecular weight of 165.19 g/mol. Its IUPAC name is (Z)-1-[amino(propan-2-yl)amino]-3,3-difluoroprop-1-en-2-amine.

Molecular Properties

Compound Name(Z)-1-[amino(propan-2-yl)amino]-3,3-difluoroprop-1-en-2-amine
PubChem CID156637586
Molecular FormulaC6H13F2N3
Molecular Weight165.19 g/mol
Exact Mass165.11
IUPAC Name(Z)-1-[amino(propan-2-yl)amino]-3,3-difluoroprop-1-en-2-amine
SMILESCC(C)N(N)/C=C(\N)C(F)F
InChIInChI=1S/C6H13F2N3/c1-4(2)11(10)3-5(9)6(7)8/h3-4,6H,9-10H2,1-2H3/b5-3-
InChIKeyGLQGMTJAKKSPSY-HYXAFXHYSA-N
XLogP0.64
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 50.64
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'}

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Related Compounds

(Z)-1-[amino(propan-2-yl)amino]-3,3-difluoroprop-1-en-2-amine;ethane
CID 176699628
(Z)-1-[amino(propan-2-yl)amino]-3-methoxyprop-1-en-2-amine
CID 171786537
(Z)-1-[amino(propan-2-yl)amino]-3-propan-2-yloxyprop-1-en-2-amine
CID 178050350
N-[(Z)-1-[amino(propan-2-yl)amino]-3,3-dimethylbut-1-en-2-yl]methanimine
CID 146213851
(Z)-3-[amino(propan-2-yl)amino]-1,1-difluorobut-2-en-2-amine
CID 177328079
(Z)-1-(N-amino-4-chloro-2-methylanilino)-3,3-difluoroprop-1-en-2-amine;ethane
CID 144897744
1-propan-2-yl-1-[(Z)-prop-1-enyl]hydrazine
CID 139357350
(Z)-1-[amino(methyl)amino]-3-chlorobut-1-en-2-amine
CID 170098899
(Z)-3,3-difluoro-1-hydrazinylprop-1-en-2-amine
CID 153404781
3-amino-4,4-difluorobut-2-enoic acid
CID 73446986
methyl 3-amino-4,4-difluorobut-2-enoate
CID 130897688
1-fluoro-N,N,N',N'-tetra(propan-2-yl)methanediamine
CID 139882033

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[amino(propan-2-yl)amino]-3,3-difluoroprop-1-en-2-amine?
The IUPAC name of (Z)-1-[amino(propan-2-yl)amino]-3,3-difluoroprop-1-en-2-amine (CID 156637586) is (Z)-1-[amino(propan-2-yl)amino]-3,3-difluoroprop-1-en-2-amine.
What is the SMILES notation for (Z)-1-[amino(propan-2-yl)amino]-3,3-difluoroprop-1-en-2-amine?
The canonical SMILES for (Z)-1-[amino(propan-2-yl)amino]-3,3-difluoroprop-1-en-2-amine is CC(C)N(N)/C=C(\N)C(F)F.
What is the InChIKey of (Z)-1-[amino(propan-2-yl)amino]-3,3-difluoroprop-1-en-2-amine?
The InChIKey is GLQGMTJAKKSPSY-HYXAFXHYSA-N. The full InChI is InChI=1S/C6H13F2N3/c1-4(2)11(10)3-5(9)6(7)8/h3-4,6H,9-10H2,1-2H3/b5-3-.
What are the key properties of (Z)-1-[amino(propan-2-yl)amino]-3,3-difluoroprop-1-en-2-amine?
(Z)-1-[amino(propan-2-yl)amino]-3,3-difluoroprop-1-en-2-amine has a molecular weight of 165.19 g/mol, XLogP of 0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[amino(propan-2-yl)amino]-3,3-difluoroprop-1-en-2-amine is sourced from PubChem (CID 156637586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).