4-(aminomethyl)-3-fluoro-N-methyl-N-pent-4-enylpyridin-2-amine

C12H18FN3 — CID 105390426

IUPAC4-(aminomethyl)-3-fluoro-N-methyl-N-pent-4-enylpyridin-2-amine
SMILESC=CCCCN(C)c1nccc(CN)c1F
InChIInChI=1S/C12H18FN3/c1-3-4-5-8-16(2)12-11(13)10(9-14)6-7-15-12/h3,6-7H,1,4-5,8-9,14H2,2H3
InChIKeyLFDVXUIWJSDWSM-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.08
Rot. Bonds6

About 4-(aminomethyl)-3-fluoro-N-methyl-N-pent-4-enylpyridin-2-amine

4-(aminomethyl)-3-fluoro-N-methyl-N-pent-4-enylpyridin-2-amine (PubChem CID 105390426) has the molecular formula C12H18FN3 and a molecular weight of 223.29 g/mol. Its IUPAC name is 4-(aminomethyl)-3-fluoro-N-methyl-N-pent-4-enylpyridin-2-amine.

Molecular Properties

Compound Name4-(aminomethyl)-3-fluoro-N-methyl-N-pent-4-enylpyridin-2-amine
PubChem CID105390426
Molecular FormulaC12H18FN3
Molecular Weight223.29 g/mol
Exact Mass223.15
IUPAC Name4-(aminomethyl)-3-fluoro-N-methyl-N-pent-4-enylpyridin-2-amine
SMILESC=CCCCN(C)c1nccc(CN)c1F
InChIInChI=1S/C12H18FN3/c1-3-4-5-8-16(2)12-11(13)10(9-14)6-7-15-12/h3,6-7H,1,4-5,8-9,14H2,2H3
InChIKeyLFDVXUIWJSDWSM-UHFFFAOYSA-N
XLogP2.08
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(ethylaminomethyl)-3-fluoro-N-methyl-N-pent-4-enylpyridin-2-amine
CID 105390420
4-(aminomethyl)-N-ethyl-3-fluoro-N-methylpyridin-2-amine
CID 105388980
4-(aminomethyl)-3-fluoro-N-methyl-N-(2-methylsulfanylethyl)pyridin-2-amine
CID 105390306
4-(aminomethyl)-N-ethyl-3-fluoro-N-prop-2-enylpyridin-2-amine
CID 105390237
4-(aminomethyl)-3-fluoro-N-methyl-N-(2-methylbutyl)pyridin-2-amine
CID 105389049
4-(aminomethyl)-N-[(4-bromophenyl)methyl]-3-fluoro-N-methylpyridin-2-amine
CID 105389702
4-(aminomethyl)-N,N-bis(2-ethoxyethyl)-3-fluoropyridin-2-amine
CID 105390289
4-(aminomethyl)-N-butyl-N-cyclopropyl-3-fluoropyridin-2-amine
CID 105389359
4-(aminomethyl)-N-[(3-chlorophenyl)methyl]-3-fluoro-N-methylpyridin-2-amine
CID 105389320
3-chloro-2-[methyl(pent-4-enyl)amino]pyridine-4-carboxylic acid
CID 107063051
4-(chloromethyl)-3-fluoro-N-methyl-N-propylpyridin-2-amine
CID 105383465
5-(aminomethyl)-N-methyl-N-pent-4-enylpyrazin-2-amine
CID 107380878

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-3-fluoro-N-methyl-N-pent-4-enylpyridin-2-amine?
The IUPAC name of 4-(aminomethyl)-3-fluoro-N-methyl-N-pent-4-enylpyridin-2-amine (CID 105390426) is 4-(aminomethyl)-3-fluoro-N-methyl-N-pent-4-enylpyridin-2-amine.
What is the SMILES notation for 4-(aminomethyl)-3-fluoro-N-methyl-N-pent-4-enylpyridin-2-amine?
The canonical SMILES for 4-(aminomethyl)-3-fluoro-N-methyl-N-pent-4-enylpyridin-2-amine is C=CCCCN(C)c1nccc(CN)c1F.
What is the InChIKey of 4-(aminomethyl)-3-fluoro-N-methyl-N-pent-4-enylpyridin-2-amine?
The InChIKey is LFDVXUIWJSDWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3/c1-3-4-5-8-16(2)12-11(13)10(9-14)6-7-15-12/h3,6-7H,1,4-5,8-9,14H2,2H3.
What are the key properties of 4-(aminomethyl)-3-fluoro-N-methyl-N-pent-4-enylpyridin-2-amine?
4-(aminomethyl)-3-fluoro-N-methyl-N-pent-4-enylpyridin-2-amine has a molecular weight of 223.29 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-3-fluoro-N-methyl-N-pent-4-enylpyridin-2-amine is sourced from PubChem (CID 105390426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).