(Z)-2-[N-(2-fluoroethyl)-C-methylcarbonimidoyl]-3-methylbut-1-en-1-amine

C9H17FN2 — CID 170635943

IUPAC(Z)-2-[N-(2-fluoroethyl)-C-methylcarbonimidoyl]-3-methylbut-1-en-1-amine
SMILESCC(=N\CCF)/C(=C\N)C(C)C
InChIInChI=1S/C9H17FN2/c1-7(2)9(6-11)8(3)12-5-4-10/h6-7H,4-5,11H2,1-3H3/b9-6-,12-8+
InChIKeyDUSMYJULYKEIDF-QYPWSSHISA-N
MW172.25 g/mol
LogP1.92
Rot. Bonds4

About (Z)-2-[N-(2-fluoroethyl)-C-methylcarbonimidoyl]-3-methylbut-1-en-1-amine

(Z)-2-[N-(2-fluoroethyl)-C-methylcarbonimidoyl]-3-methylbut-1-en-1-amine (PubChem CID 170635943) has the molecular formula C9H17FN2 and a molecular weight of 172.25 g/mol. Its IUPAC name is (Z)-2-[N-(2-fluoroethyl)-C-methylcarbonimidoyl]-3-methylbut-1-en-1-amine.

Molecular Properties

Compound Name(Z)-2-[N-(2-fluoroethyl)-C-methylcarbonimidoyl]-3-methylbut-1-en-1-amine
PubChem CID170635943
Molecular FormulaC9H17FN2
Molecular Weight172.25 g/mol
Exact Mass172.14
IUPAC Name(Z)-2-[N-(2-fluoroethyl)-C-methylcarbonimidoyl]-3-methylbut-1-en-1-amine
SMILESCC(=N\CCF)/C(=C\N)C(C)C
InChIInChI=1S/C9H17FN2/c1-7(2)9(6-11)8(3)12-5-4-10/h6-7H,4-5,11H2,1-3H3/b9-6-,12-8+
InChIKeyDUSMYJULYKEIDF-QYPWSSHISA-N
XLogP1.92
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 51.92
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

(1E,4E)-2-fluoro-4-propan-2-yl-1-N-propan-2-ylidenehexa-1,4-diene-1,3-diimine
CID 129102967
(2Z)-2-(aminomethylidene)-N,4-dimethylpentanimidoyl fluoride
CID 156898578
(E)-2-(difluoromethyl)-4-methyl-3-methyliminopent-1-en-1-amine
CID 177328070
(Z)-2-(C,N-dimethylcarbonimidoyl)-3-methylbut-1-en-1-amine
CID 89209473
(Z)-2,4-dimethyl-3-propan-2-yliminopent-1-en-1-amine
CID 131996296
ethane;(Z)-2-methyl-3-methyliminobut-1-en-1-amine
CID 143517808
(Z)-2-ethyl-3-ethyliminopent-1-en-1-amine
CID 144148258
(Z)-3-N,2,4-trimethyl-1-N-methylidenepent-1-ene-1,3-diimine
CID 146238809
2-(C,N-dimethylcarbonimidoyl)-3-methylbut-1-en-1-amine
CID 153146948
ethane;(Z)-2-ethyl-3-(2-ethylbutylimino)but-1-en-1-amine
CID 153571581
(Z)-2-(2-methylpentan-3-yliminomethyl)but-1-en-1-amine
CID 155088416
(Z)-2-[N-[2-(dimethylamino)ethyl]-C-methylcarbonimidoyl]-3-methylbut-1-en-1-amine
CID 164911644

Frequently Asked Questions

What is the IUPAC name of (Z)-2-[N-(2-fluoroethyl)-C-methylcarbonimidoyl]-3-methylbut-1-en-1-amine?
The IUPAC name of (Z)-2-[N-(2-fluoroethyl)-C-methylcarbonimidoyl]-3-methylbut-1-en-1-amine (CID 170635943) is (Z)-2-[N-(2-fluoroethyl)-C-methylcarbonimidoyl]-3-methylbut-1-en-1-amine.
What is the SMILES notation for (Z)-2-[N-(2-fluoroethyl)-C-methylcarbonimidoyl]-3-methylbut-1-en-1-amine?
The canonical SMILES for (Z)-2-[N-(2-fluoroethyl)-C-methylcarbonimidoyl]-3-methylbut-1-en-1-amine is CC(=N\CCF)/C(=C\N)C(C)C.
What is the InChIKey of (Z)-2-[N-(2-fluoroethyl)-C-methylcarbonimidoyl]-3-methylbut-1-en-1-amine?
The InChIKey is DUSMYJULYKEIDF-QYPWSSHISA-N. The full InChI is InChI=1S/C9H17FN2/c1-7(2)9(6-11)8(3)12-5-4-10/h6-7H,4-5,11H2,1-3H3/b9-6-,12-8+.
What are the key properties of (Z)-2-[N-(2-fluoroethyl)-C-methylcarbonimidoyl]-3-methylbut-1-en-1-amine?
(Z)-2-[N-(2-fluoroethyl)-C-methylcarbonimidoyl]-3-methylbut-1-en-1-amine has a molecular weight of 172.25 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[N-(2-fluoroethyl)-C-methylcarbonimidoyl]-3-methylbut-1-en-1-amine is sourced from PubChem (CID 170635943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).