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

C17H30BrN3 — CID 102915259

IUPAC5-bromo-N-(3-methyl-2-propan-2-ylbutyl)-3-[(propan-2-ylamino)methyl]pyridin-2-amine
SMILESCC(C)NCc1cc(Br)cnc1NCC(C(C)C)C(C)C
InChIInChI=1S/C17H30BrN3/c1-11(2)16(12(3)4)10-21-17-14(8-19-13(5)6)7-15(18)9-20-17/h7,9,11-13,16,19H,8,10H2,1-6H3,(H,20,21)
InChIKeyXZWOFPIUGYISCI-UHFFFAOYSA-N
MW356.35 g/mol
LogP4.68
Rot. Bonds8

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

5-bromo-N-(3-methyl-2-propan-2-ylbutyl)-3-[(propan-2-ylamino)methyl]pyridin-2-amine (PubChem CID 102915259) has the molecular formula C17H30BrN3 and a molecular weight of 356.35 g/mol. Its IUPAC name is 5-bromo-N-(3-methyl-2-propan-2-ylbutyl)-3-[(propan-2-ylamino)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(3-methyl-2-propan-2-ylbutyl)-3-[(propan-2-ylamino)methyl]pyridin-2-amine
PubChem CID102915259
Molecular FormulaC17H30BrN3
Molecular Weight356.35 g/mol
Exact Mass355.16
IUPAC Name5-bromo-N-(3-methyl-2-propan-2-ylbutyl)-3-[(propan-2-ylamino)methyl]pyridin-2-amine
SMILESCC(C)NCc1cc(Br)cnc1NCC(C(C)C)C(C)C
InChIInChI=1S/C17H30BrN3/c1-11(2)16(12(3)4)10-21-17-14(8-19-13(5)6)7-15(18)9-20-17/h7,9,11-13,16,19H,8,10H2,1-6H3,(H,20,21)
InChIKeyXZWOFPIUGYISCI-UHFFFAOYSA-N
XLogP4.68
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.35
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-bromo-2-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methyl]propan-2-amine
CID 62292181
N-[(5-bromo-2-pyrrolidin-1-yl-3-pyridinyl)methyl]propan-2-amine
CID 62285747
5-bromo-N-ethyl-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62281268
5-bromo-N-ethyl-N-propan-2-yl-3-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 55054384
N-[[5-bromo-2-(2-propan-2-yloxyethoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62290354
3-(aminomethyl)-5-fluoro-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine
CID 114035468
5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-3-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 64521675
5-bromo-2-(methylamino)-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-sulfonamide
CID 102907912
5-bromo-N-ethyl-N-(2-methylpropyl)-3-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62279366
3-bromo-8-N-(3-methyl-2-propan-2-ylbutyl)quinoline-5,8-diamine
CID 106949703
N-[[5-bromo-2-(3,5-difluorophenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62783784
N-[[5-bromo-2-(4-methylphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62295659

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-methyl-2-propan-2-ylbutyl)-3-[(propan-2-ylamino)methyl]pyridin-2-amine?
The IUPAC name of 5-bromo-N-(3-methyl-2-propan-2-ylbutyl)-3-[(propan-2-ylamino)methyl]pyridin-2-amine (CID 102915259) is 5-bromo-N-(3-methyl-2-propan-2-ylbutyl)-3-[(propan-2-ylamino)methyl]pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-(3-methyl-2-propan-2-ylbutyl)-3-[(propan-2-ylamino)methyl]pyridin-2-amine?
The canonical SMILES for 5-bromo-N-(3-methyl-2-propan-2-ylbutyl)-3-[(propan-2-ylamino)methyl]pyridin-2-amine is CC(C)NCc1cc(Br)cnc1NCC(C(C)C)C(C)C.
What is the InChIKey of 5-bromo-N-(3-methyl-2-propan-2-ylbutyl)-3-[(propan-2-ylamino)methyl]pyridin-2-amine?
The InChIKey is XZWOFPIUGYISCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30BrN3/c1-11(2)16(12(3)4)10-21-17-14(8-19-13(5)6)7-15(18)9-20-17/h7,9,11-13,16,19H,8,10H2,1-6H3,(H,20,21).
What are the key properties of 5-bromo-N-(3-methyl-2-propan-2-ylbutyl)-3-[(propan-2-ylamino)methyl]pyridin-2-amine?
5-bromo-N-(3-methyl-2-propan-2-ylbutyl)-3-[(propan-2-ylamino)methyl]pyridin-2-amine has a molecular weight of 356.35 g/mol, XLogP of 4.68, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-methyl-2-propan-2-ylbutyl)-3-[(propan-2-ylamino)methyl]pyridin-2-amine is sourced from PubChem (CID 102915259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).