N-[[5-bromo-2-(4,4-dimethylpiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine

C16H24BrN3 — CID 62930122

IUPACN-[[5-bromo-2-(4,4-dimethylpiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine
SMILESCC1(C)CCN(c2ncc(Br)cc2CNC2CC2)CC1
InChIInChI=1S/C16H24BrN3/c1-16(2)5-7-20(8-6-16)15-12(9-13(17)11-19-15)10-18-14-3-4-14/h9,11,14,18H,3-8,10H2,1-2H3
InChIKeyWTMNCRWMXNNEOZ-UHFFFAOYSA-N
MW338.29 g/mol
LogP3.72
Rot. Bonds4

About N-[[5-bromo-2-(4,4-dimethylpiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine

N-[[5-bromo-2-(4,4-dimethylpiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine (PubChem CID 62930122) has the molecular formula C16H24BrN3 and a molecular weight of 338.29 g/mol. Its IUPAC name is N-[[5-bromo-2-(4,4-dimethylpiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-bromo-2-(4,4-dimethylpiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine
PubChem CID62930122
Molecular FormulaC16H24BrN3
Molecular Weight338.29 g/mol
Exact Mass337.12
IUPAC NameN-[[5-bromo-2-(4,4-dimethylpiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine
SMILESCC1(C)CCN(c2ncc(Br)cc2CNC2CC2)CC1
InChIInChI=1S/C16H24BrN3/c1-16(2)5-7-20(8-6-16)15-12(9-13(17)11-19-15)10-18-14-3-4-14/h9,11,14,18H,3-8,10H2,1-2H3
InChIKeyWTMNCRWMXNNEOZ-UHFFFAOYSA-N
XLogP3.72
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[5-bromo-2-(4,4-dimethylpiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[5-bromo-2-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 62284209
5-bromo-3-(chloromethyl)-2-(4,4-dimethylpiperidin-1-yl)pyridine
CID 55155359
N-[[5-bromo-2-(3,4-dimethoxypyrrolidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 103539574
N-[[5-bromo-2-(2,2,6-trimethylmorpholin-4-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 62292890
N-[[5-bromo-2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 55059221
N-[[6-(3,3-dimethylpyrrolidin-1-yl)-5-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 80635474
N-[[4-(3,3-dimethylpyrrolidin-1-yl)-6-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 81247817
5-bromo-N-cyclopropyl-3-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine
CID 62279687
1-[5-bromo-2-(4-propylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine
CID 55054505
N-[[5-bromo-2-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 62289269
N-[[4-(4,4-dimethylazepan-1-yl)-6-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 81254147
N-[(5-bromo-2-pyrrolidin-1-yl-3-pyridinyl)methyl]propan-2-amine
CID 62285747

Frequently Asked Questions

What is the IUPAC name of N-[[5-bromo-2-(4,4-dimethylpiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-bromo-2-(4,4-dimethylpiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine (CID 62930122) is N-[[5-bromo-2-(4,4-dimethylpiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-bromo-2-(4,4-dimethylpiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-bromo-2-(4,4-dimethylpiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine is CC1(C)CCN(c2ncc(Br)cc2CNC2CC2)CC1.
What is the InChIKey of N-[[5-bromo-2-(4,4-dimethylpiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine?
The InChIKey is WTMNCRWMXNNEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN3/c1-16(2)5-7-20(8-6-16)15-12(9-13(17)11-19-15)10-18-14-3-4-14/h9,11,14,18H,3-8,10H2,1-2H3.
What are the key properties of N-[[5-bromo-2-(4,4-dimethylpiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine?
N-[[5-bromo-2-(4,4-dimethylpiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine has a molecular weight of 338.29 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-bromo-2-(4,4-dimethylpiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 62930122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).