ethane;fluoromethane;(E)-4-methylimino-4-pyrrolidin-3-ylbut-2-en-2-amine;propane

C15H34FN3 — CID 144740190

IUPACethane;fluoromethane;(E)-4-methylimino-4-pyrrolidin-3-ylbut-2-en-2-amine;propane
SMILESC/N=C(\C=C(/C)N)C1CCNC1.CC.CCC.CF
InChIInChI=1S/C9H17N3.C3H8.C2H6.CH3F/c1-7(10)5-9(11-2)8-3-4-12-6-8;1-3-2;2*1-2/h5,8,12H,3-4,6,10H2,1-2H3;3H2,1-2H3;1-2H3;1H3/b7-5+,11-9+;;;
InChIKeyNLZIUGWMFAJABF-UUXSKHQSSA-N
MW275.46 g/mol
LogP3.56
Rot. Bonds2

About ethane;fluoromethane;(E)-4-methylimino-4-pyrrolidin-3-ylbut-2-en-2-amine;propane

ethane;fluoromethane;(E)-4-methylimino-4-pyrrolidin-3-ylbut-2-en-2-amine;propane (PubChem CID 144740190) has the molecular formula C15H34FN3 and a molecular weight of 275.46 g/mol. Its IUPAC name is ethane;fluoromethane;(E)-4-methylimino-4-pyrrolidin-3-ylbut-2-en-2-amine;propane.

Molecular Properties

Compound Nameethane;fluoromethane;(E)-4-methylimino-4-pyrrolidin-3-ylbut-2-en-2-amine;propane
PubChem CID144740190
Molecular FormulaC15H34FN3
Molecular Weight275.46 g/mol
Exact Mass275.27
IUPAC Nameethane;fluoromethane;(E)-4-methylimino-4-pyrrolidin-3-ylbut-2-en-2-amine;propane
SMILESC/N=C(\C=C(/C)N)C1CCNC1.CC.CCC.CF
InChIInChI=1S/C9H17N3.C3H8.C2H6.CH3F/c1-7(10)5-9(11-2)8-3-4-12-6-8;1-3-2;2*1-2/h5,8,12H,3-4,6,10H2,1-2H3;3H2,1-2H3;1-2H3;1H3/b7-5+,11-9+;;;
InChIKeyNLZIUGWMFAJABF-UUXSKHQSSA-N
XLogP3.56
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.46
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Pyrrolidine, 4,4-dimethyl-2-(4,4,5-trimethyl-1-pyrrolin-2-yl)methylene-
CID 171384716
N-[(E)-(4-fluoro-4-prop-2-enylpyrrolidin-2-ylidene)methyl]propan-2-imine
CID 123748986
((1Z)-1-Methyl-2-(1-pyrrolin-2-yl)vinyl)(2-methylpropyl)amine
CID 11412728
N-[1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-yl]-2-methylpropan-1-amine
CID 29925431
(E)-4-pyrrolidin-3-ylpent-3-en-2-imine
CID 123879311
(E)-4-methylimino-4-piperidin-4-ylbut-2-en-2-amine;propane
CID 144740227
(2E)-4,4-diethyl-2-ethylidene-N-methylpyrrolidin-3-imine
CID 170606240
ethane;(2Z)-5-(3-ethylpyrrolidin-1-yl)-4-iminohexa-2,5-dien-2-amine
CID 178170713
(5,5-Dimethyl-3-pyrrolidin-1-ium-1-ylidenecyclohexen-1-yl)-dipropylazanium
CID 2315544
(5Z)-5-[(4,4-dimethyl-2,3-dihydropyrrol-5-yl)methylidene]-3,3-dimethyl-2-methylidenepyrrolidine
CID 10932924
N,5,5-trimethyl-3-pyrrolidin-1-ium-1-ylidenecyclohexen-1-amine
CID 11045889
(Z)-1-(3,4-dihydro-2H-pyrrol-5-yl)-N-propylprop-1-en-2-amine
CID 11252214

Frequently Asked Questions

What is the IUPAC name of ethane;fluoromethane;(E)-4-methylimino-4-pyrrolidin-3-ylbut-2-en-2-amine;propane?
The IUPAC name of ethane;fluoromethane;(E)-4-methylimino-4-pyrrolidin-3-ylbut-2-en-2-amine;propane (CID 144740190) is ethane;fluoromethane;(E)-4-methylimino-4-pyrrolidin-3-ylbut-2-en-2-amine;propane.
What is the SMILES notation for ethane;fluoromethane;(E)-4-methylimino-4-pyrrolidin-3-ylbut-2-en-2-amine;propane?
The canonical SMILES for ethane;fluoromethane;(E)-4-methylimino-4-pyrrolidin-3-ylbut-2-en-2-amine;propane is C/N=C(\C=C(/C)N)C1CCNC1.CC.CCC.CF.
What is the InChIKey of ethane;fluoromethane;(E)-4-methylimino-4-pyrrolidin-3-ylbut-2-en-2-amine;propane?
The InChIKey is NLZIUGWMFAJABF-UUXSKHQSSA-N. The full InChI is InChI=1S/C9H17N3.C3H8.C2H6.CH3F/c1-7(10)5-9(11-2)8-3-4-12-6-8;1-3-2;2*1-2/h5,8,12H,3-4,6,10H2,1-2H3;3H2,1-2H3;1-2H3;1H3/b7-5+,11-9+;;;.
What are the key properties of ethane;fluoromethane;(E)-4-methylimino-4-pyrrolidin-3-ylbut-2-en-2-amine;propane?
ethane;fluoromethane;(E)-4-methylimino-4-pyrrolidin-3-ylbut-2-en-2-amine;propane has a molecular weight of 275.46 g/mol, XLogP of 3.56, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;fluoromethane;(E)-4-methylimino-4-pyrrolidin-3-ylbut-2-en-2-amine;propane is sourced from PubChem (CID 144740190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).