N-[(5-bromo-3-pyridinyl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine

C12H18BrN3 — CID 116651487

IUPACN-[(5-bromo-3-pyridinyl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine
SMILESCN(Cc1cncc(Br)c1)C(CN)C1CC1
InChIInChI=1S/C12H18BrN3/c1-16(12(5-14)10-2-3-10)8-9-4-11(13)7-15-6-9/h4,6-7,10,12H,2-3,5,8,14H2,1H3
InChIKeyRLJNBXXZJVUDFJ-UHFFFAOYSA-N
MW284.20 g/mol
LogP2.01
Rot. Bonds5

About N-[(5-bromo-3-pyridinyl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine

N-[(5-bromo-3-pyridinyl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine (PubChem CID 116651487) has the molecular formula C12H18BrN3 and a molecular weight of 284.20 g/mol. Its IUPAC name is N-[(5-bromo-3-pyridinyl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-[(5-bromo-3-pyridinyl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine
PubChem CID116651487
Molecular FormulaC12H18BrN3
Molecular Weight284.20 g/mol
Exact Mass283.07
IUPAC NameN-[(5-bromo-3-pyridinyl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine
SMILESCN(Cc1cncc(Br)c1)C(CN)C1CC1
InChIInChI=1S/C12H18BrN3/c1-16(12(5-14)10-2-3-10)8-9-4-11(13)7-15-6-9/h4,6-7,10,12H,2-3,5,8,14H2,1H3
InChIKeyRLJNBXXZJVUDFJ-UHFFFAOYSA-N
XLogP2.01
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(5-bromo-3-pyridinyl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine 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

1-cyclopropyl-N-methyl-N-[(6-methyl-3-pyridinyl)methyl]ethane-1,2-diamine
CID 116651532
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine
CID 102841973
1-cyclopropyl-N-[(4,5-dibromofuran-2-yl)methyl]-N-methylethane-1,2-diamine
CID 116651521
3-[(5-bromo-3-pyridinyl)methyl-methylamino]butanethioamide
CID 104797303
1-cyclopentyl-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine
CID 62071760
N-[(5-bromo-3-pyridinyl)methyl]-N,2-dimethylpropan-1-amine
CID 115596591
1-cyclopropyl-N-[(3-fluoro-5-nitrophenyl)methyl]-N-methylethane-1,2-diamine
CID 116652776
N-[(5-bromo-3-pyridinyl)methyl]-1-ethyl-N-methylpiperidin-4-amine
CID 113240627
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1-(oxan-4-yl)ethane-1,2-diamine
CID 62385960
2-[(5-bromo-3-pyridinyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 104800079
2-(5-bromo-3-pyridinyl)-1-(4-propan-2-ylcyclohexyl)ethanol
CID 104800225
N-[(5-bromo-3-pyridinyl)methyl]-N-propylcyclopropanamine
CID 115611852

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-3-pyridinyl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine?
The IUPAC name of N-[(5-bromo-3-pyridinyl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine (CID 116651487) is N-[(5-bromo-3-pyridinyl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine.
What is the SMILES notation for N-[(5-bromo-3-pyridinyl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine?
The canonical SMILES for N-[(5-bromo-3-pyridinyl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine is CN(Cc1cncc(Br)c1)C(CN)C1CC1.
What is the InChIKey of N-[(5-bromo-3-pyridinyl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine?
The InChIKey is RLJNBXXZJVUDFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3/c1-16(12(5-14)10-2-3-10)8-9-4-11(13)7-15-6-9/h4,6-7,10,12H,2-3,5,8,14H2,1H3.
What are the key properties of N-[(5-bromo-3-pyridinyl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine?
N-[(5-bromo-3-pyridinyl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine has a molecular weight of 284.20 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-3-pyridinyl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine is sourced from PubChem (CID 116651487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).