N-[(5-bromo-2-pyrrolidin-1-yl-3-pyridinyl)methyl]propan-2-amine

C13H20BrN3 — CID 62285747

IUPACN-[(5-bromo-2-pyrrolidin-1-yl-3-pyridinyl)methyl]propan-2-amine
SMILESCC(C)NCc1cc(Br)cnc1N1CCCC1
InChIInChI=1S/C13H20BrN3/c1-10(2)15-8-11-7-12(14)9-16-13(11)17-5-3-4-6-17/h7,9-10,15H,3-6,8H2,1-2H3
InChIKeyVJMVVWLVJWJRSG-UHFFFAOYSA-N
MW298.23 g/mol
LogP2.94
Rot. Bonds4

About N-[(5-bromo-2-pyrrolidin-1-yl-3-pyridinyl)methyl]propan-2-amine

N-[(5-bromo-2-pyrrolidin-1-yl-3-pyridinyl)methyl]propan-2-amine (PubChem CID 62285747) has the molecular formula C13H20BrN3 and a molecular weight of 298.23 g/mol. Its IUPAC name is N-[(5-bromo-2-pyrrolidin-1-yl-3-pyridinyl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(5-bromo-2-pyrrolidin-1-yl-3-pyridinyl)methyl]propan-2-amine
PubChem CID62285747
Molecular FormulaC13H20BrN3
Molecular Weight298.23 g/mol
Exact Mass297.08
IUPAC NameN-[(5-bromo-2-pyrrolidin-1-yl-3-pyridinyl)methyl]propan-2-amine
SMILESCC(C)NCc1cc(Br)cnc1N1CCCC1
InChIInChI=1S/C13H20BrN3/c1-10(2)15-8-11-7-12(14)9-16-13(11)17-5-3-4-6-17/h7,9-10,15H,3-6,8H2,1-2H3
InChIKeyVJMVVWLVJWJRSG-UHFFFAOYSA-N
XLogP2.94
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.23
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-bromo-2-piperidin-1-yl-3-pyridinyl)methyl]-2-methylpropan-1-amine
CID 62281374
N-[(5-fluoro-2-pyrrolidin-1-yl-3-pyridinyl)methyl]propan-2-amine
CID 114035146
N-[[5-bromo-2-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]propan-2-amine
CID 62284579
N-[[5-bromo-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]methyl]propan-2-amine
CID 114412801
N-[[5-bromo-2-(1,4-thiazepan-4-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62288380
N-[[5-bromo-2-(2,3-dihydroindol-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 62280668
[2-(azetidin-1-yl)-5-bromo-3-pyridinyl]methanamine
CID 130548423
N-[[5-bromo-2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]ethanamine
CID 62279135
N-[[5-bromo-2-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 62284209
1-[5-bromo-2-(3-ethylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine
CID 62281889
1-[5-bromo-2-(4-propylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine
CID 55054505
N-[[5-bromo-2-(4,4-dimethylpiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 62930122

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-pyrrolidin-1-yl-3-pyridinyl)methyl]propan-2-amine?
The IUPAC name of N-[(5-bromo-2-pyrrolidin-1-yl-3-pyridinyl)methyl]propan-2-amine (CID 62285747) is N-[(5-bromo-2-pyrrolidin-1-yl-3-pyridinyl)methyl]propan-2-amine.
What is the SMILES notation for N-[(5-bromo-2-pyrrolidin-1-yl-3-pyridinyl)methyl]propan-2-amine?
The canonical SMILES for N-[(5-bromo-2-pyrrolidin-1-yl-3-pyridinyl)methyl]propan-2-amine is CC(C)NCc1cc(Br)cnc1N1CCCC1.
What is the InChIKey of N-[(5-bromo-2-pyrrolidin-1-yl-3-pyridinyl)methyl]propan-2-amine?
The InChIKey is VJMVVWLVJWJRSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3/c1-10(2)15-8-11-7-12(14)9-16-13(11)17-5-3-4-6-17/h7,9-10,15H,3-6,8H2,1-2H3.
What are the key properties of N-[(5-bromo-2-pyrrolidin-1-yl-3-pyridinyl)methyl]propan-2-amine?
N-[(5-bromo-2-pyrrolidin-1-yl-3-pyridinyl)methyl]propan-2-amine has a molecular weight of 298.23 g/mol, XLogP of 2.94, 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-pyrrolidin-1-yl-3-pyridinyl)methyl]propan-2-amine is sourced from PubChem (CID 62285747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).