fluoromethane;N-[(Z)-1-(methylideneamino)-1-(4-propan-2-ylpiperidin-1-yl)prop-1-en-2-yl]methanimine

C14H26FN3 — CID 176553028

IUPACfluoromethane;N-[(Z)-1-(methylideneamino)-1-(4-propan-2-ylpiperidin-1-yl)prop-1-en-2-yl]methanimine
SMILESC=N/C(C)=C(\N=C)N1CCC(C(C)C)CC1.CF
InChIInChI=1S/C13H23N3.CH3F/c1-10(2)12-6-8-16(9-7-12)13(15-5)11(3)14-4;1-2/h10,12H,4-9H2,1-3H3;1H3/b13-11+;
InChIKeyGMPRDNLVSSXKPG-BNSHTTSQSA-N
MW255.38 g/mol
LogP3.53
Rot. Bonds4

About fluoromethane;N-[(Z)-1-(methylideneamino)-1-(4-propan-2-ylpiperidin-1-yl)prop-1-en-2-yl]methanimine

fluoromethane;N-[(Z)-1-(methylideneamino)-1-(4-propan-2-ylpiperidin-1-yl)prop-1-en-2-yl]methanimine (PubChem CID 176553028) has the molecular formula C14H26FN3 and a molecular weight of 255.38 g/mol. Its IUPAC name is fluoromethane;N-[(Z)-1-(methylideneamino)-1-(4-propan-2-ylpiperidin-1-yl)prop-1-en-2-yl]methanimine.

Molecular Properties

Compound Namefluoromethane;N-[(Z)-1-(methylideneamino)-1-(4-propan-2-ylpiperidin-1-yl)prop-1-en-2-yl]methanimine
PubChem CID176553028
Molecular FormulaC14H26FN3
Molecular Weight255.38 g/mol
Exact Mass255.21
IUPAC Namefluoromethane;N-[(Z)-1-(methylideneamino)-1-(4-propan-2-ylpiperidin-1-yl)prop-1-en-2-yl]methanimine
SMILESC=N/C(C)=C(\N=C)N1CCC(C(C)C)CC1.CF
InChIInChI=1S/C13H23N3.CH3F/c1-10(2)12-6-8-16(9-7-12)13(15-5)11(3)14-4;1-2/h10,12H,4-9H2,1-3H3;1H3/b13-11+;
InChIKeyGMPRDNLVSSXKPG-BNSHTTSQSA-N
XLogP3.53
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of fluoromethane;N-[(Z)-1-(methylideneamino)-1-(4-propan-2-ylpiperidin-1-yl)prop-1-en-2-yl]methanimine?
The IUPAC name of fluoromethane;N-[(Z)-1-(methylideneamino)-1-(4-propan-2-ylpiperidin-1-yl)prop-1-en-2-yl]methanimine (CID 176553028) is fluoromethane;N-[(Z)-1-(methylideneamino)-1-(4-propan-2-ylpiperidin-1-yl)prop-1-en-2-yl]methanimine.
What is the SMILES notation for fluoromethane;N-[(Z)-1-(methylideneamino)-1-(4-propan-2-ylpiperidin-1-yl)prop-1-en-2-yl]methanimine?
The canonical SMILES for fluoromethane;N-[(Z)-1-(methylideneamino)-1-(4-propan-2-ylpiperidin-1-yl)prop-1-en-2-yl]methanimine is C=N/C(C)=C(\N=C)N1CCC(C(C)C)CC1.CF.
What is the InChIKey of fluoromethane;N-[(Z)-1-(methylideneamino)-1-(4-propan-2-ylpiperidin-1-yl)prop-1-en-2-yl]methanimine?
The InChIKey is GMPRDNLVSSXKPG-BNSHTTSQSA-N. The full InChI is InChI=1S/C13H23N3.CH3F/c1-10(2)12-6-8-16(9-7-12)13(15-5)11(3)14-4;1-2/h10,12H,4-9H2,1-3H3;1H3/b13-11+;.
What are the key properties of fluoromethane;N-[(Z)-1-(methylideneamino)-1-(4-propan-2-ylpiperidin-1-yl)prop-1-en-2-yl]methanimine?
fluoromethane;N-[(Z)-1-(methylideneamino)-1-(4-propan-2-ylpiperidin-1-yl)prop-1-en-2-yl]methanimine has a molecular weight of 255.38 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for fluoromethane;N-[(Z)-1-(methylideneamino)-1-(4-propan-2-ylpiperidin-1-yl)prop-1-en-2-yl]methanimine is sourced from PubChem (CID 176553028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).