(Z)-1-N-(2-fluoroethyl)-3-N-methylbut-1-ene-1,3-diamine

C7H15FN2 — CID 145474308

IUPAC(Z)-1-N-(2-fluoroethyl)-3-N-methylbut-1-ene-1,3-diamine
SMILESCNC(C)/C=C\NCCF
InChIInChI=1S/C7H15FN2/c1-7(9-2)3-5-10-6-4-8/h3,5,7,9-10H,4,6H2,1-2H3/b5-3-
InChIKeyDKUNILOMAOCSQK-HYXAFXHYSA-N
MW146.21 g/mol
LogP0.67
Rot. Bonds5

About (Z)-1-N-(2-fluoroethyl)-3-N-methylbut-1-ene-1,3-diamine

(Z)-1-N-(2-fluoroethyl)-3-N-methylbut-1-ene-1,3-diamine (PubChem CID 145474308) has the molecular formula C7H15FN2 and a molecular weight of 146.21 g/mol. Its IUPAC name is (Z)-1-N-(2-fluoroethyl)-3-N-methylbut-1-ene-1,3-diamine.

Molecular Properties

Compound Name(Z)-1-N-(2-fluoroethyl)-3-N-methylbut-1-ene-1,3-diamine
PubChem CID145474308
Molecular FormulaC7H15FN2
Molecular Weight146.21 g/mol
Exact Mass146.12
IUPAC Name(Z)-1-N-(2-fluoroethyl)-3-N-methylbut-1-ene-1,3-diamine
SMILESCNC(C)/C=C\NCCF
InChIInChI=1S/C7H15FN2/c1-7(9-2)3-5-10-6-4-8/h3,5,7,9-10H,4,6H2,1-2H3/b5-3-
InChIKeyDKUNILOMAOCSQK-HYXAFXHYSA-N
XLogP0.67
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.21
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Amino-1,4-dihydropyridine
CID 70444435
1,1,1-trifluoro-N-methylbut-3-en-2-amine
CID 55283620
(Z)-4,4,4-trifluoro-3-N-methylbut-1-ene-1,3-diamine
CID 126727990
N-[(E)-4-fluorobut-1-enyl]cyclopropanamine
CID 135200060
(Z)-1-N-fluorobut-1-ene-1,3-diamine
CID 143707869
(Z)-3-N-methyl-1-N-(2,2,2-trifluoroethyl)but-1-ene-1,3-diamine
CID 143707877
(Z)-1-N-(difluoromethyl)-3-N-methylbut-1-ene-1,3-diamine
CID 143885953
(2S)-1,1,1-trifluoro-N-methylbut-3-en-2-amine
CID 156215253
(Z)-1-N-(2,2,2-trifluoroethyl)but-1-ene-1,3-diamine
CID 162555616
N-[(Z)-2-fluoroprop-1-enyl]buta-1,3-dien-2-amine
CID 164059998
(Z)-N-(2-fluoroprop-2-enyl)pent-1-en-1-amine
CID 166734951
(Z)-2-N-[(Z)-but-1-enyl]-3-fluoroprop-1-ene-1,2-diamine
CID 167170172

Frequently Asked Questions

What is the IUPAC name of (Z)-1-N-(2-fluoroethyl)-3-N-methylbut-1-ene-1,3-diamine?
The IUPAC name of (Z)-1-N-(2-fluoroethyl)-3-N-methylbut-1-ene-1,3-diamine (CID 145474308) is (Z)-1-N-(2-fluoroethyl)-3-N-methylbut-1-ene-1,3-diamine.
What is the SMILES notation for (Z)-1-N-(2-fluoroethyl)-3-N-methylbut-1-ene-1,3-diamine?
The canonical SMILES for (Z)-1-N-(2-fluoroethyl)-3-N-methylbut-1-ene-1,3-diamine is CNC(C)/C=C\NCCF.
What is the InChIKey of (Z)-1-N-(2-fluoroethyl)-3-N-methylbut-1-ene-1,3-diamine?
The InChIKey is DKUNILOMAOCSQK-HYXAFXHYSA-N. The full InChI is InChI=1S/C7H15FN2/c1-7(9-2)3-5-10-6-4-8/h3,5,7,9-10H,4,6H2,1-2H3/b5-3-.
What are the key properties of (Z)-1-N-(2-fluoroethyl)-3-N-methylbut-1-ene-1,3-diamine?
(Z)-1-N-(2-fluoroethyl)-3-N-methylbut-1-ene-1,3-diamine has a molecular weight of 146.21 g/mol, XLogP of 0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-N-(2-fluoroethyl)-3-N-methylbut-1-ene-1,3-diamine is sourced from PubChem (CID 145474308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).