N-(2-bromoprop-2-enyl)-1,2-dimethylpiperidin-4-amine

C10H19BrN2 — CID 81345297

IUPACN-(2-bromoprop-2-enyl)-1,2-dimethylpiperidin-4-amine
SMILESC=C(Br)CNC1CCN(C)C(C)C1
InChIInChI=1S/C10H19BrN2/c1-8(11)7-12-10-4-5-13(3)9(2)6-10/h9-10,12H,1,4-7H2,2-3H3
InChIKeyHQJABMYIWBVPNJ-UHFFFAOYSA-N
MW247.18 g/mol
LogP1.97
Rot. Bonds3

About N-(2-bromoprop-2-enyl)-1,2-dimethylpiperidin-4-amine

N-(2-bromoprop-2-enyl)-1,2-dimethylpiperidin-4-amine (PubChem CID 81345297) has the molecular formula C10H19BrN2 and a molecular weight of 247.18 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)-1,2-dimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)-1,2-dimethylpiperidin-4-amine
PubChem CID81345297
Molecular FormulaC10H19BrN2
Molecular Weight247.18 g/mol
Exact Mass246.07
IUPAC NameN-(2-bromoprop-2-enyl)-1,2-dimethylpiperidin-4-amine
SMILESC=C(Br)CNC1CCN(C)C(C)C1
InChIInChI=1S/C10H19BrN2/c1-8(11)7-12-10-4-5-13(3)9(2)6-10/h9-10,12H,1,4-7H2,2-3H3
InChIKeyHQJABMYIWBVPNJ-UHFFFAOYSA-N
XLogP1.97
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.18
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromoprop-2-enyl)-1-ethyl-2-methylpiperidin-4-amine
CID 115717320
(2R)-1-[(1,2-dimethylpiperidin-4-yl)amino]propan-2-ol
CID 103906841
(2S)-1-[(1,2-dimethylpiperidin-4-yl)amino]propan-2-ol
CID 103906506
2-[(1,2-dimethylpiperidin-4-yl)amino]-N-propylacetamide
CID 81301265
4-[(1,2-dimethylpiperidin-4-yl)amino]-3-methylbut-2-enoic acid
CID 103260579
(2R,4S)-N,1,2-trimethylpiperidin-4-amine
CID 94244018
(2S,4R)-N,1,2-trimethylpiperidin-4-amine
CID 94244017
ethane;N,1,2-trimethylpiperidin-4-amine
CID 178011529
N-(3,3-dimethylbutyl)-1,2-dimethylpiperidin-4-amine
CID 81332844
3-[(1,2-dimethylpiperidin-4-yl)amino]-2,2-difluoropropan-1-ol
CID 104860685
1,2-dimethyl-N-[(3-methyloxetan-3-yl)methyl]piperidin-4-amine
CID 81345344
N-(2-bromoprop-2-enyl)-1-(2-methylpropyl)piperidin-4-amine
CID 115717138

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoprop-2-enyl)-1,2-dimethylpiperidin-4-amine?
The IUPAC name of N-(2-bromoprop-2-enyl)-1,2-dimethylpiperidin-4-amine (CID 81345297) is N-(2-bromoprop-2-enyl)-1,2-dimethylpiperidin-4-amine.
What is the SMILES notation for N-(2-bromoprop-2-enyl)-1,2-dimethylpiperidin-4-amine?
The canonical SMILES for N-(2-bromoprop-2-enyl)-1,2-dimethylpiperidin-4-amine is C=C(Br)CNC1CCN(C)C(C)C1.
What is the InChIKey of N-(2-bromoprop-2-enyl)-1,2-dimethylpiperidin-4-amine?
The InChIKey is HQJABMYIWBVPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19BrN2/c1-8(11)7-12-10-4-5-13(3)9(2)6-10/h9-10,12H,1,4-7H2,2-3H3.
What are the key properties of N-(2-bromoprop-2-enyl)-1,2-dimethylpiperidin-4-amine?
N-(2-bromoprop-2-enyl)-1,2-dimethylpiperidin-4-amine has a molecular weight of 247.18 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoprop-2-enyl)-1,2-dimethylpiperidin-4-amine is sourced from PubChem (CID 81345297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).