N-(2-bromoprop-2-enyl)-N,1-dimethylpiperidin-3-amine

C10H19BrN2 — CID 130650445

IUPACN-(2-bromoprop-2-enyl)-N,1-dimethylpiperidin-3-amine
SMILESC=C(Br)CN(C)C1CCCN(C)C1
InChIInChI=1S/C10H19BrN2/c1-9(11)7-13(3)10-5-4-6-12(2)8-10/h10H,1,4-8H2,2-3H3
InChIKeyLGKQLFSECYVDLB-UHFFFAOYSA-N
MW247.18 g/mol
LogP1.92
Rot. Bonds3

About N-(2-bromoprop-2-enyl)-N,1-dimethylpiperidin-3-amine

N-(2-bromoprop-2-enyl)-N,1-dimethylpiperidin-3-amine (PubChem CID 130650445) has the molecular formula C10H19BrN2 and a molecular weight of 247.18 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)-N,1-dimethylpiperidin-3-amine.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)-N,1-dimethylpiperidin-3-amine
PubChem CID130650445
Molecular FormulaC10H19BrN2
Molecular Weight247.18 g/mol
Exact Mass246.07
IUPAC NameN-(2-bromoprop-2-enyl)-N,1-dimethylpiperidin-3-amine
SMILESC=C(Br)CN(C)C1CCCN(C)C1
InChIInChI=1S/C10H19BrN2/c1-9(11)7-13(3)10-5-4-6-12(2)8-10/h10H,1,4-8H2,2-3H3
InChIKeyLGKQLFSECYVDLB-UHFFFAOYSA-N
XLogP1.92
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.18
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[methyl-[(3R)-1-methylpiperidin-3-yl]amino]ethanol
CID 66565626
2-[methyl-(1-methylpiperidin-3-yl)amino]acetonitrile
CID 62548009
N-(methoxymethyl)-N,1-dimethylpiperidin-3-amine
CID 115258466
1-(4-chlorophenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]ethanone
CID 62547145
N,1-dimethyl-N-(piperidin-4-ylmethyl)piperidin-3-amine
CID 62546416
N-[[4-(aminomethyl)cyclohexyl]methyl]-N,1-dimethylpiperidin-3-amine
CID 79532954
N'-methyl-N'-(1-methylpiperidin-3-yl)propane-1,3-diamine
CID 62545866
4-amino-1-[methyl-(1-methylpiperidin-3-yl)amino]butan-2-ol
CID 117039168
1-cyclopentyl-N,N'-dimethyl-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine
CID 104745946
N-hexyl-N,1-dimethylpiperidin-3-amine
CID 71906386
N,1-dimethyl-N-[[4-(methylamino)cyclohexyl]methyl]piperidin-3-amine
CID 115213642
2-bromo-N,2-dimethyl-N-(1-methylpiperidin-3-yl)propanamide
CID 114328609

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoprop-2-enyl)-N,1-dimethylpiperidin-3-amine?
The IUPAC name of N-(2-bromoprop-2-enyl)-N,1-dimethylpiperidin-3-amine (CID 130650445) is N-(2-bromoprop-2-enyl)-N,1-dimethylpiperidin-3-amine.
What is the SMILES notation for N-(2-bromoprop-2-enyl)-N,1-dimethylpiperidin-3-amine?
The canonical SMILES for N-(2-bromoprop-2-enyl)-N,1-dimethylpiperidin-3-amine is C=C(Br)CN(C)C1CCCN(C)C1.
What is the InChIKey of N-(2-bromoprop-2-enyl)-N,1-dimethylpiperidin-3-amine?
The InChIKey is LGKQLFSECYVDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19BrN2/c1-9(11)7-13(3)10-5-4-6-12(2)8-10/h10H,1,4-8H2,2-3H3.
What are the key properties of N-(2-bromoprop-2-enyl)-N,1-dimethylpiperidin-3-amine?
N-(2-bromoprop-2-enyl)-N,1-dimethylpiperidin-3-amine has a molecular weight of 247.18 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoprop-2-enyl)-N,1-dimethylpiperidin-3-amine is sourced from PubChem (CID 130650445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).