1-(2-bromoprop-2-enyl)-2-methylpiperidin-3-amine

C9H17BrN2 — CID 130993309

IUPAC1-(2-bromoprop-2-enyl)-2-methylpiperidin-3-amine
SMILESC=C(Br)CN1CCCC(N)C1C
InChIInChI=1S/C9H17BrN2/c1-7(10)6-12-5-3-4-9(11)8(12)2/h8-9H,1,3-6,11H2,2H3
InChIKeyJSRXNHDGGXZJPD-UHFFFAOYSA-N
MW233.15 g/mol
LogP1.71
Rot. Bonds2

About 1-(2-bromoprop-2-enyl)-2-methylpiperidin-3-amine

1-(2-bromoprop-2-enyl)-2-methylpiperidin-3-amine (PubChem CID 130993309) has the molecular formula C9H17BrN2 and a molecular weight of 233.15 g/mol. Its IUPAC name is 1-(2-bromoprop-2-enyl)-2-methylpiperidin-3-amine.

Molecular Properties

Compound Name1-(2-bromoprop-2-enyl)-2-methylpiperidin-3-amine
PubChem CID130993309
Molecular FormulaC9H17BrN2
Molecular Weight233.15 g/mol
Exact Mass232.06
IUPAC Name1-(2-bromoprop-2-enyl)-2-methylpiperidin-3-amine
SMILESC=C(Br)CN1CCCC(N)C1C
InChIInChI=1S/C9H17BrN2/c1-7(10)6-12-5-3-4-9(11)8(12)2/h8-9H,1,3-6,11H2,2H3
InChIKeyJSRXNHDGGXZJPD-UHFFFAOYSA-N
XLogP1.71
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.15
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,3R)-2-methyl-1-(trimethylsilylmethyl)piperidin-3-amine
CID 164655621
1-(3,3-dichloroprop-2-enyl)-2-methylpiperidin-3-amine
CID 164655976
1-(2-bromoprop-2-enyl)-2-methylpiperidin-4-amine
CID 115313002
(1S,6R)-2-(2-bromoprop-2-enyl)-2-azabicyclo[4.1.0]heptane
CID 131207018
(1R)-1-[(2R)-1-(2-bromoprop-2-enyl)piperidin-2-yl]ethanol
CID 95321469
(1S)-1-[(2S)-1-(2-bromoprop-2-enyl)piperidin-2-yl]ethanol
CID 95321466
3-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-2-methylpropanamide
CID 130993208
4-(2-bromoprop-2-enyl)-3-methyl-1,4-oxazepane
CID 130739918
1-[1-(2-bromoprop-2-enyl)piperidin-2-yl]propan-2-ol
CID 114338272
ethyl 1-(2-bromoprop-2-enyl)piperidine-2-carboxylate
CID 78968925
methyl (2R)-1-(2-bromoprop-2-enyl)piperidine-2-carboxylate
CID 115371331
1-(2-amino-2-oxoethyl)-2-methylpiperidine-3-carboxylic acid
CID 131173226

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoprop-2-enyl)-2-methylpiperidin-3-amine?
The IUPAC name of 1-(2-bromoprop-2-enyl)-2-methylpiperidin-3-amine (CID 130993309) is 1-(2-bromoprop-2-enyl)-2-methylpiperidin-3-amine.
What is the SMILES notation for 1-(2-bromoprop-2-enyl)-2-methylpiperidin-3-amine?
The canonical SMILES for 1-(2-bromoprop-2-enyl)-2-methylpiperidin-3-amine is C=C(Br)CN1CCCC(N)C1C.
What is the InChIKey of 1-(2-bromoprop-2-enyl)-2-methylpiperidin-3-amine?
The InChIKey is JSRXNHDGGXZJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17BrN2/c1-7(10)6-12-5-3-4-9(11)8(12)2/h8-9H,1,3-6,11H2,2H3.
What are the key properties of 1-(2-bromoprop-2-enyl)-2-methylpiperidin-3-amine?
1-(2-bromoprop-2-enyl)-2-methylpiperidin-3-amine has a molecular weight of 233.15 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoprop-2-enyl)-2-methylpiperidin-3-amine is sourced from PubChem (CID 130993309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).