N-[(3,5-dibromo-2-pyridinyl)methyl]-2,3-dimethylcyclohexan-1-amine

C14H20Br2N2 — CID 113393642

IUPACN-[(3,5-dibromo-2-pyridinyl)methyl]-2,3-dimethylcyclohexan-1-amine
SMILESCC1CCCC(NCc2ncc(Br)cc2Br)C1C
InChIInChI=1S/C14H20Br2N2/c1-9-4-3-5-13(10(9)2)18-8-14-12(16)6-11(15)7-17-14/h6-7,9-10,13,18H,3-5,8H2,1-2H3
InChIKeyPSHNVCLQSKNBOT-UHFFFAOYSA-N
MW376.14 g/mol
LogP4.52
Rot. Bonds3

About N-[(3,5-dibromo-2-pyridinyl)methyl]-2,3-dimethylcyclohexan-1-amine

N-[(3,5-dibromo-2-pyridinyl)methyl]-2,3-dimethylcyclohexan-1-amine (PubChem CID 113393642) has the molecular formula C14H20Br2N2 and a molecular weight of 376.14 g/mol. Its IUPAC name is N-[(3,5-dibromo-2-pyridinyl)methyl]-2,3-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(3,5-dibromo-2-pyridinyl)methyl]-2,3-dimethylcyclohexan-1-amine
PubChem CID113393642
Molecular FormulaC14H20Br2N2
Molecular Weight376.14 g/mol
Exact Mass374.00
IUPAC NameN-[(3,5-dibromo-2-pyridinyl)methyl]-2,3-dimethylcyclohexan-1-amine
SMILESCC1CCCC(NCc2ncc(Br)cc2Br)C1C
InChIInChI=1S/C14H20Br2N2/c1-9-4-3-5-13(10(9)2)18-8-14-12(16)6-11(15)7-17-14/h6-7,9-10,13,18H,3-5,8H2,1-2H3
InChIKeyPSHNVCLQSKNBOT-UHFFFAOYSA-N
XLogP4.52
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.14
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dibromo-2-pyridinyl)methyl]-2,3-dimethylcyclohexan-1-amine?
The IUPAC name of N-[(3,5-dibromo-2-pyridinyl)methyl]-2,3-dimethylcyclohexan-1-amine (CID 113393642) is N-[(3,5-dibromo-2-pyridinyl)methyl]-2,3-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[(3,5-dibromo-2-pyridinyl)methyl]-2,3-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[(3,5-dibromo-2-pyridinyl)methyl]-2,3-dimethylcyclohexan-1-amine is CC1CCCC(NCc2ncc(Br)cc2Br)C1C.
What is the InChIKey of N-[(3,5-dibromo-2-pyridinyl)methyl]-2,3-dimethylcyclohexan-1-amine?
The InChIKey is PSHNVCLQSKNBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Br2N2/c1-9-4-3-5-13(10(9)2)18-8-14-12(16)6-11(15)7-17-14/h6-7,9-10,13,18H,3-5,8H2,1-2H3.
What are the key properties of N-[(3,5-dibromo-2-pyridinyl)methyl]-2,3-dimethylcyclohexan-1-amine?
N-[(3,5-dibromo-2-pyridinyl)methyl]-2,3-dimethylcyclohexan-1-amine has a molecular weight of 376.14 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dibromo-2-pyridinyl)methyl]-2,3-dimethylcyclohexan-1-amine is sourced from PubChem (CID 113393642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).