3-(diaminomethylidene)-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine

C7H14F3N5 — CID 83031931

IUPAC3-(diaminomethylidene)-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine
SMILES[H]/N=C(\N=C(N)N)N(CC(F)(F)F)C(C)C
InChIInChI=1S/C7H14F3N5/c1-4(2)15(3-7(8,9)10)6(13)14-5(11)12/h4H,3H2,1-2H3,(H5,11,12,13,14)
InChIKeySHCRJRSPZAQRBA-UHFFFAOYSA-N
MW225.22 g/mol
LogP0.47
Rot. Bonds2

About 3-(diaminomethylidene)-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine

3-(diaminomethylidene)-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine (PubChem CID 83031931) has the molecular formula C7H14F3N5 and a molecular weight of 225.22 g/mol. Its IUPAC name is 3-(diaminomethylidene)-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine.

Molecular Properties

Compound Name3-(diaminomethylidene)-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine
PubChem CID83031931
Molecular FormulaC7H14F3N5
Molecular Weight225.22 g/mol
Exact Mass225.12
IUPAC Name3-(diaminomethylidene)-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine
SMILES[H]/N=C(\N=C(N)N)N(CC(F)(F)F)C(C)C
InChIInChI=1S/C7H14F3N5/c1-4(2)15(3-7(8,9)10)6(13)14-5(11)12/h4H,3H2,1-2H3,(H5,11,12,13,14)
InChIKeySHCRJRSPZAQRBA-UHFFFAOYSA-N
XLogP0.47
TPSA91.49 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[(2R)-1,1,1-trifluoropropan-2-yl]-4-[(2R)-1,1,1-trifluoropropan-2-yl]imino-1,3,5-triazin-2-amine
CID 162453113
1-[(2R)-1,1,1-trifluoropropan-2-yl]-6-[(2R)-1,1,1-trifluoropropan-2-yl]imino-1,3,5-triazin-2-amine
CID 162453115
5-[(2R)-1,1,1-trifluoropropan-2-yl]-4-[(2R)-1,1,1-trifluoropropan-2-yl]imino-1,3,5-triazin-2-amine
CID 162453116
4-Imino-5-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazin-2-amine
CID 175042926
1-carbamimidoyl-1,2-bis[(2R)-1,1,1-trifluoropropan-2-yl]guanidine;hydrochloride
CID 177210307
3-(Diaminomethylidene)-1-ethyl-1-(2-fluoropropyl)guanidine
CID 18769850
3-(Diaminomethylidene)-1-ethyl-1-(3-fluoropropyl)guanidine
CID 18769894
1-propan-2-yl-6-(trifluoromethyl)-2H-1,3,5-triazine-2,4-diamine
CID 21151823
3-(Diaminomethylidene)-2-ethyl-1-methyl-1-(2,2,2-trifluoroethyl)guanidine
CID 53639278
1-Propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine
CID 61605169
1-Cyclopropyl-2-methyl-1-(2,2,2-trifluoroethyl)guanidine
CID 62358421
2-Methyl-1-propyl-1-(2,2,2-trifluoroethyl)guanidine
CID 62358422

Frequently Asked Questions

What is the IUPAC name of 3-(diaminomethylidene)-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine?
The IUPAC name of 3-(diaminomethylidene)-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine (CID 83031931) is 3-(diaminomethylidene)-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine.
What is the SMILES notation for 3-(diaminomethylidene)-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine?
The canonical SMILES for 3-(diaminomethylidene)-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine is [H]/N=C(\N=C(N)N)N(CC(F)(F)F)C(C)C.
What is the InChIKey of 3-(diaminomethylidene)-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine?
The InChIKey is SHCRJRSPZAQRBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3N5/c1-4(2)15(3-7(8,9)10)6(13)14-5(11)12/h4H,3H2,1-2H3,(H5,11,12,13,14).
What are the key properties of 3-(diaminomethylidene)-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine?
3-(diaminomethylidene)-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine has a molecular weight of 225.22 g/mol, XLogP of 0.47, 2 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diaminomethylidene)-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine is sourced from PubChem (CID 83031931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).