1-[(5-bromo-3-pyridinyl)methyl]-2-cyclohexylcyclohexan-1-amine

C18H27BrN2 — CID 104802735

IUPAC1-[(5-bromo-3-pyridinyl)methyl]-2-cyclohexylcyclohexan-1-amine
SMILESNC1(Cc2cncc(Br)c2)CCCCC1C1CCCCC1
InChIInChI=1S/C18H27BrN2/c19-16-10-14(12-21-13-16)11-18(20)9-5-4-8-17(18)15-6-2-1-3-7-15/h10,12-13,15,17H,1-9,11,20H2
InChIKeyDIBLABSRIGWDKB-UHFFFAOYSA-N
MW351.33 g/mol
LogP4.85
Rot. Bonds3

About 1-[(5-bromo-3-pyridinyl)methyl]-2-cyclohexylcyclohexan-1-amine

1-[(5-bromo-3-pyridinyl)methyl]-2-cyclohexylcyclohexan-1-amine (PubChem CID 104802735) has the molecular formula C18H27BrN2 and a molecular weight of 351.33 g/mol. Its IUPAC name is 1-[(5-bromo-3-pyridinyl)methyl]-2-cyclohexylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[(5-bromo-3-pyridinyl)methyl]-2-cyclohexylcyclohexan-1-amine
PubChem CID104802735
Molecular FormulaC18H27BrN2
Molecular Weight351.33 g/mol
Exact Mass350.14
IUPAC Name1-[(5-bromo-3-pyridinyl)methyl]-2-cyclohexylcyclohexan-1-amine
SMILESNC1(Cc2cncc(Br)c2)CCCCC1C1CCCCC1
InChIInChI=1S/C18H27BrN2/c19-16-10-14(12-21-13-16)11-18(20)9-5-4-8-17(18)15-6-2-1-3-7-15/h10,12-13,15,17H,1-9,11,20H2
InChIKeyDIBLABSRIGWDKB-UHFFFAOYSA-N
XLogP4.85
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.33
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-[(5-bromo-3-pyridinyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 104802748
2-cyclohexyl-1-[(4-iodophenyl)methyl]cyclohexan-1-amine
CID 65478287
1-[(5-bromo-3-pyridinyl)methyl]-3-methylcyclohexan-1-amine
CID 104802690
1-[(5-bromo-3-pyridinyl)methyl]-2-phenylcyclohexan-1-ol
CID 104801472
1-[(5-bromo-3-pyridinyl)methyl]cyclohexane-1-carbonitrile
CID 104812885
1-[(5-bromo-3-pyridinyl)methyl]-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol
CID 113455002
4-[(5-bromo-3-pyridinyl)methyl]oxepan-4-amine
CID 104802931
1-[(5-bromo-3-pyridinyl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 104802710
1-butyl-2-cyclohexylcyclohexan-1-amine
CID 55187524
1-[(5-bromo-3-pyridinyl)methyl]-4,4-dimethylcycloheptan-1-ol
CID 113454948
2-(5-bromo-3-pyridinyl)-1-cycloheptylethanol
CID 104800221
1-[(5-bromo-3-pyridinyl)methyl]-3-methoxycyclohexan-1-ol
CID 106873956

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-3-pyridinyl)methyl]-2-cyclohexylcyclohexan-1-amine?
The IUPAC name of 1-[(5-bromo-3-pyridinyl)methyl]-2-cyclohexylcyclohexan-1-amine (CID 104802735) is 1-[(5-bromo-3-pyridinyl)methyl]-2-cyclohexylcyclohexan-1-amine.
What is the SMILES notation for 1-[(5-bromo-3-pyridinyl)methyl]-2-cyclohexylcyclohexan-1-amine?
The canonical SMILES for 1-[(5-bromo-3-pyridinyl)methyl]-2-cyclohexylcyclohexan-1-amine is NC1(Cc2cncc(Br)c2)CCCCC1C1CCCCC1.
What is the InChIKey of 1-[(5-bromo-3-pyridinyl)methyl]-2-cyclohexylcyclohexan-1-amine?
The InChIKey is DIBLABSRIGWDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27BrN2/c19-16-10-14(12-21-13-16)11-18(20)9-5-4-8-17(18)15-6-2-1-3-7-15/h10,12-13,15,17H,1-9,11,20H2.
What are the key properties of 1-[(5-bromo-3-pyridinyl)methyl]-2-cyclohexylcyclohexan-1-amine?
1-[(5-bromo-3-pyridinyl)methyl]-2-cyclohexylcyclohexan-1-amine has a molecular weight of 351.33 g/mol, XLogP of 4.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-3-pyridinyl)methyl]-2-cyclohexylcyclohexan-1-amine is sourced from PubChem (CID 104802735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).