5-bromo-N-(1-cyclopropylethyl)-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-2-amine

C15H24BrN3 — CID 62282579

IUPAC5-bromo-N-(1-cyclopropylethyl)-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-2-amine
SMILESCC(C)NCc1cc(Br)cnc1N(C)C(C)C1CC1
InChIInChI=1S/C15H24BrN3/c1-10(2)17-8-13-7-14(16)9-18-15(13)19(4)11(3)12-5-6-12/h7,9-12,17H,5-6,8H2,1-4H3
InChIKeyABYNTOVXXYUUDX-UHFFFAOYSA-N
MW326.28 g/mol
LogP3.58
Rot. Bonds6

About 5-bromo-N-(1-cyclopropylethyl)-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-2-amine

5-bromo-N-(1-cyclopropylethyl)-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-2-amine (PubChem CID 62282579) has the molecular formula C15H24BrN3 and a molecular weight of 326.28 g/mol. Its IUPAC name is 5-bromo-N-(1-cyclopropylethyl)-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(1-cyclopropylethyl)-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-2-amine
PubChem CID62282579
Molecular FormulaC15H24BrN3
Molecular Weight326.28 g/mol
Exact Mass325.12
IUPAC Name5-bromo-N-(1-cyclopropylethyl)-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-2-amine
SMILESCC(C)NCc1cc(Br)cnc1N(C)C(C)C1CC1
InChIInChI=1S/C15H24BrN3/c1-10(2)17-8-13-7-14(16)9-18-15(13)19(4)11(3)12-5-6-12/h7,9-12,17H,5-6,8H2,1-4H3
InChIKeyABYNTOVXXYUUDX-UHFFFAOYSA-N
XLogP3.58
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(1-cyclopropylethyl)-N-methyl-3-(propylaminomethyl)pyridin-2-amine
CID 55059195
5-bromo-N-ethyl-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62281268
5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-3-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 64521675
5-bromo-N-ethyl-N-propan-2-yl-3-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 55054384
5-bromo-N-ethyl-N-(2-methylpropyl)-3-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62279366
5-bromo-N-cyclopentyl-3-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine
CID 62280389
N-(1-cyclopropylethyl)-N-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62281707
5-bromo-3-[(cyclopropylamino)methyl]-N-methyl-N-pentan-3-ylpyridin-2-amine
CID 62283954
5-bromo-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-3-(methylaminomethyl)pyridin-2-amine
CID 62293675
5-bromo-N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62280121
5-bromo-N-(2-methoxyethyl)-N-(2-methylpropyl)-3-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62282182
3-(aminomethyl)-5-bromo-N-(cyclobutylmethyl)-N-methylpyridin-2-amine
CID 62855860

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-cyclopropylethyl)-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-2-amine?
The IUPAC name of 5-bromo-N-(1-cyclopropylethyl)-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-2-amine (CID 62282579) is 5-bromo-N-(1-cyclopropylethyl)-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-(1-cyclopropylethyl)-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-2-amine?
The canonical SMILES for 5-bromo-N-(1-cyclopropylethyl)-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-2-amine is CC(C)NCc1cc(Br)cnc1N(C)C(C)C1CC1.
What is the InChIKey of 5-bromo-N-(1-cyclopropylethyl)-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-2-amine?
The InChIKey is ABYNTOVXXYUUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN3/c1-10(2)17-8-13-7-14(16)9-18-15(13)19(4)11(3)12-5-6-12/h7,9-12,17H,5-6,8H2,1-4H3.
What are the key properties of 5-bromo-N-(1-cyclopropylethyl)-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-2-amine?
5-bromo-N-(1-cyclopropylethyl)-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-2-amine has a molecular weight of 326.28 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-cyclopropylethyl)-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-2-amine is sourced from PubChem (CID 62282579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).