3-[(Z)-1-fluorobut-1-en-2-yl]imino-N-methylpentan-1-amine

C10H19FN2 — CID 155352469

IUPAC3-[(Z)-1-fluorobut-1-en-2-yl]imino-N-methylpentan-1-amine
SMILESCCC(=C/F)/N=C(\CC)CCNC
InChIInChI=1S/C10H19FN2/c1-4-9(6-7-12-3)13-10(5-2)8-11/h8,12H,4-7H2,1-3H3/b10-8-,13-9+
InChIKeyNRQVFTIFIFPGBF-KKCPJAHZSA-N
MW186.27 g/mol
LogP2.67
Rot. Bonds6

About 3-[(Z)-1-fluorobut-1-en-2-yl]imino-N-methylpentan-1-amine

3-[(Z)-1-fluorobut-1-en-2-yl]imino-N-methylpentan-1-amine (PubChem CID 155352469) has the molecular formula C10H19FN2 and a molecular weight of 186.27 g/mol. Its IUPAC name is 3-[(Z)-1-fluorobut-1-en-2-yl]imino-N-methylpentan-1-amine.

Molecular Properties

Compound Name3-[(Z)-1-fluorobut-1-en-2-yl]imino-N-methylpentan-1-amine
PubChem CID155352469
Molecular FormulaC10H19FN2
Molecular Weight186.27 g/mol
Exact Mass186.15
IUPAC Name3-[(Z)-1-fluorobut-1-en-2-yl]imino-N-methylpentan-1-amine
SMILESCCC(=C/F)/N=C(\CC)CCNC
InChIInChI=1S/C10H19FN2/c1-4-9(6-7-12-3)13-10(5-2)8-11/h8,12H,4-7H2,1-3H3/b10-8-,13-9+
InChIKeyNRQVFTIFIFPGBF-KKCPJAHZSA-N
XLogP2.67
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.27
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[(Z)-1-fluorobut-1-en-2-yl]imino-N-methylpentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-1-(butan-2-ylideneamino)-N-ethylhex-1-en-2-amine
CID 141880142
N-methylmethanamine;6-methyl-2,3,4,5-tetrahydropyridine;N-prop-1-en-2-ylpropan-1-amine
CID 142051156
2-fluorobut-1-ene;3-N-methylpiperidine-3,4-diimine
CID 145255844
4-methylimino-N-prop-1-en-2-ylpentan-1-amine
CID 145519628
5-(cyclopentylideneamino)-N-methylpent-1-en-2-amine
CID 155130412
3-(3,4-dihydro-2H-pyrrol-5-yl)-N-methylprop-1-en-2-amine
CID 170237963
(2Z)-2-butyl-5-methyl-6,7,8,9-tetrahydro-1H-1,4-diazonine
CID 141880072
N-hex-1-en-2-yl-6-methyliminoheptan-1-amine
CID 141880120

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-1-fluorobut-1-en-2-yl]imino-N-methylpentan-1-amine?
The IUPAC name of 3-[(Z)-1-fluorobut-1-en-2-yl]imino-N-methylpentan-1-amine (CID 155352469) is 3-[(Z)-1-fluorobut-1-en-2-yl]imino-N-methylpentan-1-amine.
What is the SMILES notation for 3-[(Z)-1-fluorobut-1-en-2-yl]imino-N-methylpentan-1-amine?
The canonical SMILES for 3-[(Z)-1-fluorobut-1-en-2-yl]imino-N-methylpentan-1-amine is CCC(=C/F)/N=C(\CC)CCNC.
What is the InChIKey of 3-[(Z)-1-fluorobut-1-en-2-yl]imino-N-methylpentan-1-amine?
The InChIKey is NRQVFTIFIFPGBF-KKCPJAHZSA-N. The full InChI is InChI=1S/C10H19FN2/c1-4-9(6-7-12-3)13-10(5-2)8-11/h8,12H,4-7H2,1-3H3/b10-8-,13-9+.
What are the key properties of 3-[(Z)-1-fluorobut-1-en-2-yl]imino-N-methylpentan-1-amine?
3-[(Z)-1-fluorobut-1-en-2-yl]imino-N-methylpentan-1-amine has a molecular weight of 186.27 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-1-fluorobut-1-en-2-yl]imino-N-methylpentan-1-amine is sourced from PubChem (CID 155352469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).