N-[[3-[(5-bromo-3-pyridinyl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]-2-methylpropan-2-amine

C17H25BrN2 — CID 104810907

IUPACN-[[3-[(5-bromo-3-pyridinyl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1(Cc2cncc(Br)c2)CC2CC2C1
InChIInChI=1S/C17H25BrN2/c1-16(2,3)20-11-17(7-13-5-14(13)8-17)6-12-4-15(18)10-19-9-12/h4,9-10,13-14,20H,5-8,11H2,1-3H3
InChIKeyDREWNUSIIFMZSB-UHFFFAOYSA-N
MW337.31 g/mol
LogP4.19
Rot. Bonds4

About N-[[3-[(5-bromo-3-pyridinyl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]-2-methylpropan-2-amine

N-[[3-[(5-bromo-3-pyridinyl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]-2-methylpropan-2-amine (PubChem CID 104810907) has the molecular formula C17H25BrN2 and a molecular weight of 337.31 g/mol. Its IUPAC name is N-[[3-[(5-bromo-3-pyridinyl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[3-[(5-bromo-3-pyridinyl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]-2-methylpropan-2-amine
PubChem CID104810907
Molecular FormulaC17H25BrN2
Molecular Weight337.31 g/mol
Exact Mass336.12
IUPAC NameN-[[3-[(5-bromo-3-pyridinyl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1(Cc2cncc(Br)c2)CC2CC2C1
InChIInChI=1S/C17H25BrN2/c1-16(2,3)20-11-17(7-13-5-14(13)8-17)6-12-4-15(18)10-19-9-12/h4,9-10,13-14,20H,5-8,11H2,1-3H3
InChIKeyDREWNUSIIFMZSB-UHFFFAOYSA-N
XLogP4.19
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.31
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[(5-bromo-3-pyridinyl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[3-[(5-bromo-3-pyridinyl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]-2-methylpropan-2-amine (CID 104810907) is N-[[3-[(5-bromo-3-pyridinyl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[3-[(5-bromo-3-pyridinyl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[3-[(5-bromo-3-pyridinyl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCC1(Cc2cncc(Br)c2)CC2CC2C1.
What is the InChIKey of N-[[3-[(5-bromo-3-pyridinyl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]-2-methylpropan-2-amine?
The InChIKey is DREWNUSIIFMZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2/c1-16(2,3)20-11-17(7-13-5-14(13)8-17)6-12-4-15(18)10-19-9-12/h4,9-10,13-14,20H,5-8,11H2,1-3H3.
What are the key properties of N-[[3-[(5-bromo-3-pyridinyl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]-2-methylpropan-2-amine?
N-[[3-[(5-bromo-3-pyridinyl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]-2-methylpropan-2-amine has a molecular weight of 337.31 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(5-bromo-3-pyridinyl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 104810907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).