N-(2-fluoropropyl)-N-methyl-N'-(N,N,N'-trimethylcarbamimidoyl)ethanimidamide

C10H21FN4 — CID 123778883

IUPACN-(2-fluoropropyl)-N-methyl-N'-(N,N,N'-trimethylcarbamimidoyl)ethanimidamide
SMILESC/N=C(/N=C(C)N(C)CC(C)F)N(C)C
InChIInChI=1S/C10H21FN4/c1-8(11)7-15(6)9(2)13-10(12-3)14(4)5/h8H,7H2,1-6H3/b12-10-,13-9?
InChIKeyZJKYHXMHAWOYJW-IYZNFVJJSA-N
MW216.30 g/mol
LogP1.24
Rot. Bonds2

About N-(2-fluoropropyl)-N-methyl-N'-(N,N,N'-trimethylcarbamimidoyl)ethanimidamide

N-(2-fluoropropyl)-N-methyl-N'-(N,N,N'-trimethylcarbamimidoyl)ethanimidamide (PubChem CID 123778883) has the molecular formula C10H21FN4 and a molecular weight of 216.30 g/mol. Its IUPAC name is N-(2-fluoropropyl)-N-methyl-N'-(N,N,N'-trimethylcarbamimidoyl)ethanimidamide.

Molecular Properties

Compound NameN-(2-fluoropropyl)-N-methyl-N'-(N,N,N'-trimethylcarbamimidoyl)ethanimidamide
PubChem CID123778883
Molecular FormulaC10H21FN4
Molecular Weight216.30 g/mol
Exact Mass216.18
IUPAC NameN-(2-fluoropropyl)-N-methyl-N'-(N,N,N'-trimethylcarbamimidoyl)ethanimidamide
SMILESC/N=C(/N=C(C)N(C)CC(C)F)N(C)C
InChIInChI=1S/C10H21FN4/c1-8(11)7-15(6)9(2)13-10(12-3)14(4)5/h8H,7H2,1-6H3/b12-10-,13-9?
InChIKeyZJKYHXMHAWOYJW-IYZNFVJJSA-N
XLogP1.24
TPSA31.20 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.30
LogP ≤ 51.24
H-Bond Donors ≤ 50
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

N,N-Diethyl-N'-propylacetamidine
CID 519058
N,N-dibutyl-N'-methylethanimidamide
CID 13042442
N,N'-dimethyl-N-propylethanimidamide
CID 20688203
1-(Diethylamino)propylidene-diethylazanium
CID 23311474
N-butyl-N,N'-dimethylethanimidamide
CID 23565352
N,N-diethyl-N'-methylpropanimidamide
CID 88273695
N'-ethyl-N-methyl-N-propylethanimidamide
CID 123496150
N'-methyl-N,N-dipropylethanimidamide
CID 139776669
ethane;N-ethyl-N'-methyl-N-propylethanimidamide
CID 142132277
N-ethyl-N'-methyl-N-propylethanimidamide
CID 142132278
N,N-dibutyl-N'-(N'-ethyl-N,N-dimethylcarbamimidoyl)ethanimidamide
CID 144313753
N'-(N,N-dibutyl-N'-ethylcarbamimidoyl)-N-methyl-N-propylethanimidamide;ethane
CID 144313754

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoropropyl)-N-methyl-N'-(N,N,N'-trimethylcarbamimidoyl)ethanimidamide?
The IUPAC name of N-(2-fluoropropyl)-N-methyl-N'-(N,N,N'-trimethylcarbamimidoyl)ethanimidamide (CID 123778883) is N-(2-fluoropropyl)-N-methyl-N'-(N,N,N'-trimethylcarbamimidoyl)ethanimidamide.
What is the SMILES notation for N-(2-fluoropropyl)-N-methyl-N'-(N,N,N'-trimethylcarbamimidoyl)ethanimidamide?
The canonical SMILES for N-(2-fluoropropyl)-N-methyl-N'-(N,N,N'-trimethylcarbamimidoyl)ethanimidamide is C/N=C(/N=C(C)N(C)CC(C)F)N(C)C.
What is the InChIKey of N-(2-fluoropropyl)-N-methyl-N'-(N,N,N'-trimethylcarbamimidoyl)ethanimidamide?
The InChIKey is ZJKYHXMHAWOYJW-IYZNFVJJSA-N. The full InChI is InChI=1S/C10H21FN4/c1-8(11)7-15(6)9(2)13-10(12-3)14(4)5/h8H,7H2,1-6H3/b12-10-,13-9?.
What are the key properties of N-(2-fluoropropyl)-N-methyl-N'-(N,N,N'-trimethylcarbamimidoyl)ethanimidamide?
N-(2-fluoropropyl)-N-methyl-N'-(N,N,N'-trimethylcarbamimidoyl)ethanimidamide has a molecular weight of 216.30 g/mol, XLogP of 1.24, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoropropyl)-N-methyl-N'-(N,N,N'-trimethylcarbamimidoyl)ethanimidamide is sourced from PubChem (CID 123778883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).