(2Z)-2-(1-aminoethylidene)-N-ethyl-4-methylpentanimidoyl fluoride

C10H19FN2 — CID 156898951

IUPAC(2Z)-2-(1-aminoethylidene)-N-ethyl-4-methylpentanimidoyl fluoride
SMILESCC/N=C(F)/C(CC(C)C)=C(/C)N
InChIInChI=1S/C10H19FN2/c1-5-13-10(11)9(8(4)12)6-7(2)3/h7H,5-6,12H2,1-4H3/b9-8-,13-10-
InChIKeyRKALSMUWTXXEDX-AGMBNHQJSA-N
MW186.27 g/mol
LogP2.65
Rot. Bonds4

About (2Z)-2-(1-aminoethylidene)-N-ethyl-4-methylpentanimidoyl fluoride

(2Z)-2-(1-aminoethylidene)-N-ethyl-4-methylpentanimidoyl fluoride (PubChem CID 156898951) has the molecular formula C10H19FN2 and a molecular weight of 186.27 g/mol. Its IUPAC name is (2Z)-2-(1-aminoethylidene)-N-ethyl-4-methylpentanimidoyl fluoride.

Molecular Properties

Compound Name(2Z)-2-(1-aminoethylidene)-N-ethyl-4-methylpentanimidoyl fluoride
PubChem CID156898951
Molecular FormulaC10H19FN2
Molecular Weight186.27 g/mol
Exact Mass186.15
IUPAC Name(2Z)-2-(1-aminoethylidene)-N-ethyl-4-methylpentanimidoyl fluoride
SMILESCC/N=C(F)/C(CC(C)C)=C(/C)N
InChIInChI=1S/C10H19FN2/c1-5-13-10(11)9(8(4)12)6-7(2)3/h7H,5-6,12H2,1-4H3/b9-8-,13-10-
InChIKeyRKALSMUWTXXEDX-AGMBNHQJSA-N
XLogP2.65
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.27
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-(2-fluoroethyliminomethyl)-4-methylpent-2-en-2-amine
CID 170635933
(Z)-5-methyl-4-(methyliminomethyl)hex-3-en-3-amine
CID 88579646
(Z)-2,5-dimethyl-4-(methyliminomethyl)hex-3-en-3-amine
CID 89002637
(Z)-5-methyl-3-(methyliminomethyl)hex-2-en-2-amine
CID 156898706
(Z)-3-(C,N-dimethylcarbonimidoyl)-5-methylhex-2-en-2-amine
CID 156899022
3-(C,N-dimethylcarbonimidoyl)-4-methylpent-2-en-2-amine
CID 159379865
4-Methyl-3-(methyliminomethyl)pent-2-en-2-amine
CID 163439776
(Z)-3-(ethyliminomethyl)-4-methylpent-2-en-2-amine
CID 164911601
(Z)-4-methyl-3-(methyliminomethyl)pent-2-en-2-amine
CID 166126937
ethane;(Z)-4-methyl-3-(methyliminomethyl)pent-2-en-2-amine
CID 168246345
(Z)-6-methyl-4-propyl-5-propyliminohept-3-en-3-amine
CID 169923582
(Z)-3,5-dimethyl-4-methyliminohex-2-en-2-amine
CID 170617816

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(1-aminoethylidene)-N-ethyl-4-methylpentanimidoyl fluoride?
The IUPAC name of (2Z)-2-(1-aminoethylidene)-N-ethyl-4-methylpentanimidoyl fluoride (CID 156898951) is (2Z)-2-(1-aminoethylidene)-N-ethyl-4-methylpentanimidoyl fluoride.
What is the SMILES notation for (2Z)-2-(1-aminoethylidene)-N-ethyl-4-methylpentanimidoyl fluoride?
The canonical SMILES for (2Z)-2-(1-aminoethylidene)-N-ethyl-4-methylpentanimidoyl fluoride is CC/N=C(F)/C(CC(C)C)=C(/C)N.
What is the InChIKey of (2Z)-2-(1-aminoethylidene)-N-ethyl-4-methylpentanimidoyl fluoride?
The InChIKey is RKALSMUWTXXEDX-AGMBNHQJSA-N. The full InChI is InChI=1S/C10H19FN2/c1-5-13-10(11)9(8(4)12)6-7(2)3/h7H,5-6,12H2,1-4H3/b9-8-,13-10-.
What are the key properties of (2Z)-2-(1-aminoethylidene)-N-ethyl-4-methylpentanimidoyl fluoride?
(2Z)-2-(1-aminoethylidene)-N-ethyl-4-methylpentanimidoyl fluoride has a molecular weight of 186.27 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(1-aminoethylidene)-N-ethyl-4-methylpentanimidoyl fluoride is sourced from PubChem (CID 156898951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).