2-N-[5-bromo-3-[(cyclopropylamino)methyl]-2-pyridinyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine

C16H27BrN4 — CID 103191503

IUPAC2-N-[5-bromo-3-[(cyclopropylamino)methyl]-2-pyridinyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCCN(c1ncc(Br)cc1CNC1CC1)C(C)CN(C)C
InChIInChI=1S/C16H27BrN4/c1-5-21(12(2)11-20(3)4)16-13(8-14(17)10-19-16)9-18-15-6-7-15/h8,10,12,15,18H,5-7,9,11H2,1-4H3
InChIKeyANKQVJNKPBFYEQ-UHFFFAOYSA-N
MW355.32 g/mol
LogP2.87
Rot. Bonds8

About 2-N-[5-bromo-3-[(cyclopropylamino)methyl]-2-pyridinyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine

2-N-[5-bromo-3-[(cyclopropylamino)methyl]-2-pyridinyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine (PubChem CID 103191503) has the molecular formula C16H27BrN4 and a molecular weight of 355.32 g/mol. Its IUPAC name is 2-N-[5-bromo-3-[(cyclopropylamino)methyl]-2-pyridinyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[5-bromo-3-[(cyclopropylamino)methyl]-2-pyridinyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
PubChem CID103191503
Molecular FormulaC16H27BrN4
Molecular Weight355.32 g/mol
Exact Mass354.14
IUPAC Name2-N-[5-bromo-3-[(cyclopropylamino)methyl]-2-pyridinyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCCN(c1ncc(Br)cc1CNC1CC1)C(C)CN(C)C
InChIInChI=1S/C16H27BrN4/c1-5-21(12(2)11-20(3)4)16-13(8-14(17)10-19-16)9-18-15-6-7-15/h8,10,12,15,18H,5-7,9,11H2,1-4H3
InChIKeyANKQVJNKPBFYEQ-UHFFFAOYSA-N
XLogP2.87
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.32
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-N-[5-bromo-3-[(cyclopropylamino)methyl]-2-pyridinyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine with MolForge

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Related Compounds

2-N-[3-chloro-5-[(cyclopropylamino)methyl]-2-pyridinyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103191559
5-bromo-N-cyclopropyl-3-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine
CID 62279687
5-bromo-3-[(cyclopropylamino)methyl]-N-methyl-N-pentan-3-ylpyridin-2-amine
CID 62283954
5-bromo-3-[(cyclopropylamino)methyl]-N-ethyl-N-(2-ethylbutyl)pyridin-2-amine
CID 63489111
N'-[5-bromo-3-[(cyclopropylamino)methyl]-2-pyridinyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102997407
5-bromo-N-cyclopentyl-3-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine
CID 62280389
5-bromo-3-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine
CID 82952955
2-N-(3,5-dibromo-2-pyridinyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103190681
2-N-[5-chloro-4-[(cyclopropylamino)methyl]-2-pyridinyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103191574
N-benzyl-5-bromo-3-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine
CID 62284947
5-bromo-3-[(cyclopropylamino)methyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-2-amine
CID 62288842
5-bromo-N-butan-2-yl-3-(chloromethyl)-N-ethylpyridin-2-amine
CID 62000746

Frequently Asked Questions

What is the IUPAC name of 2-N-[5-bromo-3-[(cyclopropylamino)methyl]-2-pyridinyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
The IUPAC name of 2-N-[5-bromo-3-[(cyclopropylamino)methyl]-2-pyridinyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine (CID 103191503) is 2-N-[5-bromo-3-[(cyclopropylamino)methyl]-2-pyridinyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[5-bromo-3-[(cyclopropylamino)methyl]-2-pyridinyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-[5-bromo-3-[(cyclopropylamino)methyl]-2-pyridinyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine is CCN(c1ncc(Br)cc1CNC1CC1)C(C)CN(C)C.
What is the InChIKey of 2-N-[5-bromo-3-[(cyclopropylamino)methyl]-2-pyridinyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
The InChIKey is ANKQVJNKPBFYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27BrN4/c1-5-21(12(2)11-20(3)4)16-13(8-14(17)10-19-16)9-18-15-6-7-15/h8,10,12,15,18H,5-7,9,11H2,1-4H3.
What are the key properties of 2-N-[5-bromo-3-[(cyclopropylamino)methyl]-2-pyridinyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
2-N-[5-bromo-3-[(cyclopropylamino)methyl]-2-pyridinyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine has a molecular weight of 355.32 g/mol, XLogP of 2.87, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[5-bromo-3-[(cyclopropylamino)methyl]-2-pyridinyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 103191503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).