N,3-dimethylpentan-1-amine;ethane;2-[2-ethenyl-3-(1-fluoroethenyl)pyrrol-1-yl]acetic acid

C19H33FN2O2 — CID 143396176

IUPACN,3-dimethylpentan-1-amine;ethane;2-[2-ethenyl-3-(1-fluoroethenyl)pyrrol-1-yl]acetic acid
SMILESC=Cc1c(C(=C)F)ccn1CC(=O)O.CC.CCC(C)CCNC
InChIInChI=1S/C10H10FNO2.C7H17N.C2H6/c1-3-9-8(7(2)11)4-5-12(9)6-10(13)14;1-4-7(2)5-6-8-3;1-2/h3-5H,1-2,6H2,(H,13,14);7-8H,4-6H2,1-3H3;1-2H3
InChIKeyFEBRJQSFEQPBDF-UHFFFAOYSA-N
MW340.48 g/mol
LogP4.82
Rot. Bonds8

About N,3-dimethylpentan-1-amine;ethane;2-[2-ethenyl-3-(1-fluoroethenyl)pyrrol-1-yl]acetic acid

N,3-dimethylpentan-1-amine;ethane;2-[2-ethenyl-3-(1-fluoroethenyl)pyrrol-1-yl]acetic acid (PubChem CID 143396176) has the molecular formula C19H33FN2O2 and a molecular weight of 340.48 g/mol. Its IUPAC name is N,3-dimethylpentan-1-amine;ethane;2-[2-ethenyl-3-(1-fluoroethenyl)pyrrol-1-yl]acetic acid.

Molecular Properties

Compound NameN,3-dimethylpentan-1-amine;ethane;2-[2-ethenyl-3-(1-fluoroethenyl)pyrrol-1-yl]acetic acid
PubChem CID143396176
Molecular FormulaC19H33FN2O2
Molecular Weight340.48 g/mol
Exact Mass340.25
IUPAC NameN,3-dimethylpentan-1-amine;ethane;2-[2-ethenyl-3-(1-fluoroethenyl)pyrrol-1-yl]acetic acid
SMILESC=Cc1c(C(=C)F)ccn1CC(=O)O.CC.CCC(C)CCNC
InChIInChI=1S/C10H10FNO2.C7H17N.C2H6/c1-3-9-8(7(2)11)4-5-12(9)6-10(13)14;1-4-7(2)5-6-8-3;1-2/h3-5H,1-2,6H2,(H,13,14);7-8H,4-6H2,1-3H3;1-2H3
InChIKeyFEBRJQSFEQPBDF-UHFFFAOYSA-N
XLogP4.82
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.48
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,3-dimethylpentan-1-amine;prop-1-ene
CID 171815498
N,3-dimethylpentan-1-amine;ethane
CID 142089517
2-[2-(2-methylbutylcarbamoyl)pyrrol-1-yl]acetic acid
CID 79330816
1-(carboxymethyl)-2-ethylpyrrole-3-carboxylic acid
CID 84755749
benzene-1,3-dicarboxylic acid;bis(4-methylhexane-1,1-diol)
CID 70538106
1-(2-methylbutyl)indole-4-carboxylic acid
CID 62105505
4-methyl-6-[[2-oxo-2-(pentan-3-ylamino)ethyl]amino]hexanoic acid
CID 65287842
ethane;ethene;3-ethyl-N,4-dimethylpent-4-en-1-amine
CID 171815778
2-(3-hydroxypentylamino)acetic acid
CID 91143486
N-methylpropan-1-amine;3-methyl-N-propylhepta-1,6-dien-2-amine
CID 156713243
(2R)-2-methyl-N,N-diphenylpent-4-enamide
CID 24809395
(3S)-N-methyl-3-phenylpent-4-en-1-amine
CID 143676843

Frequently Asked Questions

What is the IUPAC name of N,3-dimethylpentan-1-amine;ethane;2-[2-ethenyl-3-(1-fluoroethenyl)pyrrol-1-yl]acetic acid?
The IUPAC name of N,3-dimethylpentan-1-amine;ethane;2-[2-ethenyl-3-(1-fluoroethenyl)pyrrol-1-yl]acetic acid (CID 143396176) is N,3-dimethylpentan-1-amine;ethane;2-[2-ethenyl-3-(1-fluoroethenyl)pyrrol-1-yl]acetic acid.
What is the SMILES notation for N,3-dimethylpentan-1-amine;ethane;2-[2-ethenyl-3-(1-fluoroethenyl)pyrrol-1-yl]acetic acid?
The canonical SMILES for N,3-dimethylpentan-1-amine;ethane;2-[2-ethenyl-3-(1-fluoroethenyl)pyrrol-1-yl]acetic acid is C=Cc1c(C(=C)F)ccn1CC(=O)O.CC.CCC(C)CCNC.
What is the InChIKey of N,3-dimethylpentan-1-amine;ethane;2-[2-ethenyl-3-(1-fluoroethenyl)pyrrol-1-yl]acetic acid?
The InChIKey is FEBRJQSFEQPBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO2.C7H17N.C2H6/c1-3-9-8(7(2)11)4-5-12(9)6-10(13)14;1-4-7(2)5-6-8-3;1-2/h3-5H,1-2,6H2,(H,13,14);7-8H,4-6H2,1-3H3;1-2H3.
What are the key properties of N,3-dimethylpentan-1-amine;ethane;2-[2-ethenyl-3-(1-fluoroethenyl)pyrrol-1-yl]acetic acid?
N,3-dimethylpentan-1-amine;ethane;2-[2-ethenyl-3-(1-fluoroethenyl)pyrrol-1-yl]acetic acid has a molecular weight of 340.48 g/mol, XLogP of 4.82, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethylpentan-1-amine;ethane;2-[2-ethenyl-3-(1-fluoroethenyl)pyrrol-1-yl]acetic acid is sourced from PubChem (CID 143396176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).