N-[1-(1-adamantyl)ethyl]-5-bromo-3-methylpyridin-2-amine

C18H25BrN2 — CID 79713637

IUPACN-[1-(1-adamantyl)ethyl]-5-bromo-3-methylpyridin-2-amine
SMILESCc1cc(Br)cnc1NC(C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H25BrN2/c1-11-3-16(19)10-20-17(11)21-12(2)18-7-13-4-14(8-18)6-15(5-13)9-18/h3,10,12-15H,4-9H2,1-2H3,(H,20,21)
InChIKeyHZDQRFGLONHHJF-UHFFFAOYSA-N
MW349.32 g/mol
LogP5.17
Rot. Bonds3

About N-[1-(1-adamantyl)ethyl]-5-bromo-3-methylpyridin-2-amine

N-[1-(1-adamantyl)ethyl]-5-bromo-3-methylpyridin-2-amine (PubChem CID 79713637) has the molecular formula C18H25BrN2 and a molecular weight of 349.32 g/mol. Its IUPAC name is N-[1-(1-adamantyl)ethyl]-5-bromo-3-methylpyridin-2-amine.

Molecular Properties

Compound NameN-[1-(1-adamantyl)ethyl]-5-bromo-3-methylpyridin-2-amine
PubChem CID79713637
Molecular FormulaC18H25BrN2
Molecular Weight349.32 g/mol
Exact Mass348.12
IUPAC NameN-[1-(1-adamantyl)ethyl]-5-bromo-3-methylpyridin-2-amine
SMILESCc1cc(Br)cnc1NC(C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H25BrN2/c1-11-3-16(19)10-20-17(11)21-12(2)18-7-13-4-14(8-18)6-15(5-13)9-18/h3,10,12-15H,4-9H2,1-2H3,(H,20,21)
InChIKeyHZDQRFGLONHHJF-UHFFFAOYSA-N
XLogP5.17
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.32
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(1-adamantyl)ethyl]-5-bromopyrimidin-4-amine
CID 66342762
5-bromo-3-methyl-N-[1-(oxolan-2-yl)ethyl]pyridin-2-amine
CID 79717768
3-[(5-bromo-3-methyl-2-pyridinyl)amino]-2,2-dimethylcyclobutan-1-ol
CID 114630263
N-[1-(1-adamantyl)ethyl]-2-methylpyrimidin-4-amine
CID 63535938
N-[1-(1-adamantyl)ethyl]-3-chloro-4-methylaniline
CID 43110752
5-bromo-N-[1-(4-fluorophenyl)ethyl]-3-methylpyridin-2-amine
CID 79718989
methyl 2-[(5-bromo-3-methyl-2-pyridinyl)amino]-3-methylbutanoate
CID 79718493
N-[1-(1-adamantyl)ethyl]-2,3-dimethylaniline
CID 43099908
6-[1-(1-adamantyl)ethylamino]pyridine-3-carbonitrile
CID 43176199
2-[(5-bromo-3-methyl-2-pyridinyl)amino]-3-methoxypropan-1-ol
CID 106186160
N-(5-bromo-3-methyl-2-pyridinyl)-3,3-difluorocyclopentane-1-carboxamide
CID 114098798
5-bromo-3-methyl-N-(oxolan-3-ylmethyl)pyridin-2-amine
CID 79718882

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-adamantyl)ethyl]-5-bromo-3-methylpyridin-2-amine?
The IUPAC name of N-[1-(1-adamantyl)ethyl]-5-bromo-3-methylpyridin-2-amine (CID 79713637) is N-[1-(1-adamantyl)ethyl]-5-bromo-3-methylpyridin-2-amine.
What is the SMILES notation for N-[1-(1-adamantyl)ethyl]-5-bromo-3-methylpyridin-2-amine?
The canonical SMILES for N-[1-(1-adamantyl)ethyl]-5-bromo-3-methylpyridin-2-amine is Cc1cc(Br)cnc1NC(C)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[1-(1-adamantyl)ethyl]-5-bromo-3-methylpyridin-2-amine?
The InChIKey is HZDQRFGLONHHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25BrN2/c1-11-3-16(19)10-20-17(11)21-12(2)18-7-13-4-14(8-18)6-15(5-13)9-18/h3,10,12-15H,4-9H2,1-2H3,(H,20,21).
What are the key properties of N-[1-(1-adamantyl)ethyl]-5-bromo-3-methylpyridin-2-amine?
N-[1-(1-adamantyl)ethyl]-5-bromo-3-methylpyridin-2-amine has a molecular weight of 349.32 g/mol, XLogP of 5.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-adamantyl)ethyl]-5-bromo-3-methylpyridin-2-amine is sourced from PubChem (CID 79713637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).