2-[(5-bromo-2-pyridinyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine

C16H25BrN2 — CID 104800080

IUPAC2-[(5-bromo-2-pyridinyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
SMILESCNC1CCC(C(C)C)CC1Cc1ccc(Br)cn1
InChIInChI=1S/C16H25BrN2/c1-11(2)12-4-7-16(18-3)13(8-12)9-15-6-5-14(17)10-19-15/h5-6,10-13,16,18H,4,7-9H2,1-3H3
InChIKeyKDXWQDLNWYJOLL-UHFFFAOYSA-N
MW325.29 g/mol
LogP4.05
Rot. Bonds4

About 2-[(5-bromo-2-pyridinyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine

2-[(5-bromo-2-pyridinyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine (PubChem CID 104800080) has the molecular formula C16H25BrN2 and a molecular weight of 325.29 g/mol. Its IUPAC name is 2-[(5-bromo-2-pyridinyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[(5-bromo-2-pyridinyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
PubChem CID104800080
Molecular FormulaC16H25BrN2
Molecular Weight325.29 g/mol
Exact Mass324.12
IUPAC Name2-[(5-bromo-2-pyridinyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
SMILESCNC1CCC(C(C)C)CC1Cc1ccc(Br)cn1
InChIInChI=1S/C16H25BrN2/c1-11(2)12-4-7-16(18-3)13(8-12)9-15-6-5-14(17)10-19-15/h5-6,10-13,16,18H,4,7-9H2,1-3H3
InChIKeyKDXWQDLNWYJOLL-UHFFFAOYSA-N
XLogP4.05
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-pyridinyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 2-[(5-bromo-2-pyridinyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine (CID 104800080) is 2-[(5-bromo-2-pyridinyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 2-[(5-bromo-2-pyridinyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 2-[(5-bromo-2-pyridinyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine is CNC1CCC(C(C)C)CC1Cc1ccc(Br)cn1.
What is the InChIKey of 2-[(5-bromo-2-pyridinyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is KDXWQDLNWYJOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2/c1-11(2)12-4-7-16(18-3)13(8-12)9-15-6-5-14(17)10-19-15/h5-6,10-13,16,18H,4,7-9H2,1-3H3.
What are the key properties of 2-[(5-bromo-2-pyridinyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine?
2-[(5-bromo-2-pyridinyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 325.29 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-pyridinyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 104800080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).