N-[[5-bromo-2-(2-methylcyclohexyl)oxy-3-pyridinyl]methyl]-2-methylpropan-1-amine

C17H27BrN2O — CID 63489661

IUPACN-[[5-bromo-2-(2-methylcyclohexyl)oxy-3-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cc(Br)cnc1OC1CCCCC1C
InChIInChI=1S/C17H27BrN2O/c1-12(2)9-19-10-14-8-15(18)11-20-17(14)21-16-7-5-4-6-13(16)3/h8,11-13,16,19H,4-7,9-10H2,1-3H3
InChIKeyFNIAYSPGUJJOKA-UHFFFAOYSA-N
MW355.32 g/mol
LogP4.55
Rot. Bonds6

About N-[[5-bromo-2-(2-methylcyclohexyl)oxy-3-pyridinyl]methyl]-2-methylpropan-1-amine

N-[[5-bromo-2-(2-methylcyclohexyl)oxy-3-pyridinyl]methyl]-2-methylpropan-1-amine (PubChem CID 63489661) has the molecular formula C17H27BrN2O and a molecular weight of 355.32 g/mol. Its IUPAC name is N-[[5-bromo-2-(2-methylcyclohexyl)oxy-3-pyridinyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[5-bromo-2-(2-methylcyclohexyl)oxy-3-pyridinyl]methyl]-2-methylpropan-1-amine
PubChem CID63489661
Molecular FormulaC17H27BrN2O
Molecular Weight355.32 g/mol
Exact Mass354.13
IUPAC NameN-[[5-bromo-2-(2-methylcyclohexyl)oxy-3-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cc(Br)cnc1OC1CCCCC1C
InChIInChI=1S/C17H27BrN2O/c1-12(2)9-19-10-14-8-15(18)11-20-17(14)21-16-7-5-4-6-13(16)3/h8,11-13,16,19H,4-7,9-10H2,1-3H3
InChIKeyFNIAYSPGUJJOKA-UHFFFAOYSA-N
XLogP4.55
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.32
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[5-bromo-2-(2-methylcyclohexyl)oxy-3-pyridinyl]methyl]-2-methylpropan-1-amine with MolForge

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Related Compounds

N-[(5-bromo-2-methoxy-3-pyridinyl)methyl]-2-methylpropan-1-amine
CID 62292648
N-[[5-chloro-2-(2-methylcyclohexyl)oxy-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 114927656
2-methyl-N-[[4-methyl-2-(2-methylcyclohexyl)oxypyrimidin-5-yl]methyl]propan-1-amine
CID 83186101
N-[[5-bromo-2-(2-methylpiperidin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62285762
N-[[5-bromo-2-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62297526
5-bromo-N-cyclopropyl-N-(2-methylpropyl)-3-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 63487745
N-[(5-bromo-2-cycloheptyloxy-3-pyridinyl)methyl]propan-1-amine
CID 63490204
N-[[5-bromo-2-(3-bromophenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 63487635
N-[(5-bromo-2-piperidin-1-yl-3-pyridinyl)methyl]-2-methylpropan-1-amine
CID 62281374
N-[[5-bromo-2-(3-methoxy-3-methylbutoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 106667606
N-[[5-bromo-2-(3,4-dimethylcyclohexyl)oxy-3-pyridinyl]methyl]propan-1-amine
CID 64739927
N-[(5-bromo-2-cycloheptyloxyphenyl)methyl]-2-methylpropan-1-amine
CID 82927406

Frequently Asked Questions

What is the IUPAC name of N-[[5-bromo-2-(2-methylcyclohexyl)oxy-3-pyridinyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[5-bromo-2-(2-methylcyclohexyl)oxy-3-pyridinyl]methyl]-2-methylpropan-1-amine (CID 63489661) is N-[[5-bromo-2-(2-methylcyclohexyl)oxy-3-pyridinyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[5-bromo-2-(2-methylcyclohexyl)oxy-3-pyridinyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[5-bromo-2-(2-methylcyclohexyl)oxy-3-pyridinyl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1cc(Br)cnc1OC1CCCCC1C.
What is the InChIKey of N-[[5-bromo-2-(2-methylcyclohexyl)oxy-3-pyridinyl]methyl]-2-methylpropan-1-amine?
The InChIKey is FNIAYSPGUJJOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BrN2O/c1-12(2)9-19-10-14-8-15(18)11-20-17(14)21-16-7-5-4-6-13(16)3/h8,11-13,16,19H,4-7,9-10H2,1-3H3.
What are the key properties of N-[[5-bromo-2-(2-methylcyclohexyl)oxy-3-pyridinyl]methyl]-2-methylpropan-1-amine?
N-[[5-bromo-2-(2-methylcyclohexyl)oxy-3-pyridinyl]methyl]-2-methylpropan-1-amine has a molecular weight of 355.32 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-bromo-2-(2-methylcyclohexyl)oxy-3-pyridinyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 63489661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).