(4S)-2-bromo-4-fluoro-3-methyl-N-prop-2-enylpent-1-en-3-amine

C9H15BrFN — CID 163959977

IUPAC(4S)-2-bromo-4-fluoro-3-methyl-N-prop-2-enylpent-1-en-3-amine
SMILESC=CCNC(C)(C(=C)Br)[C@H](C)F
InChIInChI=1S/C9H15BrFN/c1-5-6-12-9(4,7(2)10)8(3)11/h5,8,12H,1-2,6H2,3-4H3/t8-,9?/m0/s1
InChIKeySGPSNDVNFHEDLX-IENPIDJESA-N
MW236.13 g/mol
LogP2.79
Rot. Bonds5

About (4S)-2-bromo-4-fluoro-3-methyl-N-prop-2-enylpent-1-en-3-amine

(4S)-2-bromo-4-fluoro-3-methyl-N-prop-2-enylpent-1-en-3-amine (PubChem CID 163959977) has the molecular formula C9H15BrFN and a molecular weight of 236.13 g/mol. Its IUPAC name is (4S)-2-bromo-4-fluoro-3-methyl-N-prop-2-enylpent-1-en-3-amine.

Molecular Properties

Compound Name(4S)-2-bromo-4-fluoro-3-methyl-N-prop-2-enylpent-1-en-3-amine
PubChem CID163959977
Molecular FormulaC9H15BrFN
Molecular Weight236.13 g/mol
Exact Mass235.04
IUPAC Name(4S)-2-bromo-4-fluoro-3-methyl-N-prop-2-enylpent-1-en-3-amine
SMILESC=CCNC(C)(C(=C)Br)[C@H](C)F
InChIInChI=1S/C9H15BrFN/c1-5-6-12-9(4,7(2)10)8(3)11/h5,8,12H,1-2,6H2,3-4H3/t8-,9?/m0/s1
InChIKeySGPSNDVNFHEDLX-IENPIDJESA-N
XLogP2.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.13
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,4-dimethyl-2-(prop-2-enylamino)pentanoic acid
CID 61341230
azane;2-methyl-N-prop-2-enylbut-3-en-2-amine;hydrochloride
CID 175381941
2,2-dimethyl-1-N,1-N'-bis(prop-2-enyl)-1-silylpropane-1,1-diamine
CID 173002811
2,3-dimethyl-2-(prop-2-enylamino)pentanenitrile
CID 62354448
2-methyl-N-prop-2-enylpentan-2-amine
CID 115600901
1,2,2-trimethoxy-N-prop-2-enyl-1-silylpropan-1-amine
CID 174425524
2-ethyl-2-(prop-2-enylamino)butan-1-ol
CID 62517970
2-ethyl-2-(prop-2-enylamino)propane-1,3-diol
CID 20751100
1-N'-tert-butyl-1-N-prop-2-enylethene-1,1-diamine
CID 118258790
2-methyl-3-(prop-2-enylamino)propan-1-ol
CID 65036515
4,4-dimethyl-N-prop-2-enylpent-1-en-2-amine
CID 171790832
N-[di(propan-2-yl)-(prop-2-enylamino)silyl]prop-2-en-1-amine
CID 87084497

Frequently Asked Questions

What is the IUPAC name of (4S)-2-bromo-4-fluoro-3-methyl-N-prop-2-enylpent-1-en-3-amine?
The IUPAC name of (4S)-2-bromo-4-fluoro-3-methyl-N-prop-2-enylpent-1-en-3-amine (CID 163959977) is (4S)-2-bromo-4-fluoro-3-methyl-N-prop-2-enylpent-1-en-3-amine.
What is the SMILES notation for (4S)-2-bromo-4-fluoro-3-methyl-N-prop-2-enylpent-1-en-3-amine?
The canonical SMILES for (4S)-2-bromo-4-fluoro-3-methyl-N-prop-2-enylpent-1-en-3-amine is C=CCNC(C)(C(=C)Br)[C@H](C)F.
What is the InChIKey of (4S)-2-bromo-4-fluoro-3-methyl-N-prop-2-enylpent-1-en-3-amine?
The InChIKey is SGPSNDVNFHEDLX-IENPIDJESA-N. The full InChI is InChI=1S/C9H15BrFN/c1-5-6-12-9(4,7(2)10)8(3)11/h5,8,12H,1-2,6H2,3-4H3/t8-,9?/m0/s1.
What are the key properties of (4S)-2-bromo-4-fluoro-3-methyl-N-prop-2-enylpent-1-en-3-amine?
(4S)-2-bromo-4-fluoro-3-methyl-N-prop-2-enylpent-1-en-3-amine has a molecular weight of 236.13 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-bromo-4-fluoro-3-methyl-N-prop-2-enylpent-1-en-3-amine is sourced from PubChem (CID 163959977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).