5-bromo-N-cyclopropyl-N-(2-methylpropyl)-3-[(2-methylpropylamino)methyl]pyridin-2-amine

C17H28BrN3 — CID 63487745

IUPAC5-bromo-N-cyclopropyl-N-(2-methylpropyl)-3-[(2-methylpropylamino)methyl]pyridin-2-amine
SMILESCC(C)CNCc1cc(Br)cnc1N(CC(C)C)C1CC1
InChIInChI=1S/C17H28BrN3/c1-12(2)8-19-9-14-7-15(18)10-20-17(14)21(11-13(3)4)16-5-6-16/h7,10,12-13,16,19H,5-6,8-9,11H2,1-4H3
InChIKeyHSUVAOKOWCKVJV-UHFFFAOYSA-N
MW354.34 g/mol
LogP4.21
Rot. Bonds8

About 5-bromo-N-cyclopropyl-N-(2-methylpropyl)-3-[(2-methylpropylamino)methyl]pyridin-2-amine

5-bromo-N-cyclopropyl-N-(2-methylpropyl)-3-[(2-methylpropylamino)methyl]pyridin-2-amine (PubChem CID 63487745) has the molecular formula C17H28BrN3 and a molecular weight of 354.34 g/mol. Its IUPAC name is 5-bromo-N-cyclopropyl-N-(2-methylpropyl)-3-[(2-methylpropylamino)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-cyclopropyl-N-(2-methylpropyl)-3-[(2-methylpropylamino)methyl]pyridin-2-amine
PubChem CID63487745
Molecular FormulaC17H28BrN3
Molecular Weight354.34 g/mol
Exact Mass353.15
IUPAC Name5-bromo-N-cyclopropyl-N-(2-methylpropyl)-3-[(2-methylpropylamino)methyl]pyridin-2-amine
SMILESCC(C)CNCc1cc(Br)cnc1N(CC(C)C)C1CC1
InChIInChI=1S/C17H28BrN3/c1-12(2)8-19-9-14-7-15(18)10-20-17(14)21(11-13(3)4)16-5-6-16/h7,10,12-13,16,19H,5-6,8-9,11H2,1-4H3
InChIKeyHSUVAOKOWCKVJV-UHFFFAOYSA-N
XLogP4.21
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.34
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-3-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 64521675
5-bromo-3-(chloromethyl)-N-cyclopropyl-N-(3-methylbutyl)pyridin-2-amine
CID 78943847
N-[[5-bromo-2-(2-methylcyclohexyl)oxy-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 63489661
5-bromo-N-cyclohexyl-N-ethyl-3-(propylaminomethyl)pyridin-2-amine
CID 63487902
5-bromo-3-(ethylaminomethyl)-N-methyl-N-(4-methylcyclohexyl)pyridin-2-amine
CID 62287100
N-[(5-bromo-2-piperidin-1-yl-3-pyridinyl)methyl]-2-methylpropan-1-amine
CID 62281374
N-[[5-bromo-2-(2-methylpiperidin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62285762
N-[(5-bromo-2-methoxy-3-pyridinyl)methyl]-2-methylpropan-1-amine
CID 62292648
5-bromo-N-ethyl-3-(methylaminomethyl)-N-(2-methylpropyl)pyridin-2-amine
CID 55055106
5-bromo-N-cyclopropyl-3-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine
CID 62279687
5-bromo-N-cyclopropyl-3-[(cyclopropylamino)methyl]-N-(cyclopropylmethyl)pyridin-2-amine
CID 64519885
5-bromo-N-ethyl-N-(2-methylpropyl)-3-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62279366

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-cyclopropyl-N-(2-methylpropyl)-3-[(2-methylpropylamino)methyl]pyridin-2-amine?
The IUPAC name of 5-bromo-N-cyclopropyl-N-(2-methylpropyl)-3-[(2-methylpropylamino)methyl]pyridin-2-amine (CID 63487745) is 5-bromo-N-cyclopropyl-N-(2-methylpropyl)-3-[(2-methylpropylamino)methyl]pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-cyclopropyl-N-(2-methylpropyl)-3-[(2-methylpropylamino)methyl]pyridin-2-amine?
The canonical SMILES for 5-bromo-N-cyclopropyl-N-(2-methylpropyl)-3-[(2-methylpropylamino)methyl]pyridin-2-amine is CC(C)CNCc1cc(Br)cnc1N(CC(C)C)C1CC1.
What is the InChIKey of 5-bromo-N-cyclopropyl-N-(2-methylpropyl)-3-[(2-methylpropylamino)methyl]pyridin-2-amine?
The InChIKey is HSUVAOKOWCKVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28BrN3/c1-12(2)8-19-9-14-7-15(18)10-20-17(14)21(11-13(3)4)16-5-6-16/h7,10,12-13,16,19H,5-6,8-9,11H2,1-4H3.
What are the key properties of 5-bromo-N-cyclopropyl-N-(2-methylpropyl)-3-[(2-methylpropylamino)methyl]pyridin-2-amine?
5-bromo-N-cyclopropyl-N-(2-methylpropyl)-3-[(2-methylpropylamino)methyl]pyridin-2-amine has a molecular weight of 354.34 g/mol, XLogP of 4.21, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-cyclopropyl-N-(2-methylpropyl)-3-[(2-methylpropylamino)methyl]pyridin-2-amine is sourced from PubChem (CID 63487745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).