(3Z)-3-[(5-bromo-2-pyridinyl)methylidene]cyclohexan-1-amine

C12H15BrN2 — CID 104813685

IUPAC(3Z)-3-[(5-bromo-2-pyridinyl)methylidene]cyclohexan-1-amine
SMILESNC1CCC/C(=C/c2ccc(Br)cn2)C1
InChIInChI=1S/C12H15BrN2/c13-10-4-5-12(15-8-10)7-9-2-1-3-11(14)6-9/h4-5,7-8,11H,1-3,6,14H2/b9-7-
InChIKeyNSMJNBBQBMNAKT-CLFYSBASSA-N
MW267.17 g/mol
LogP3.13
Rot. Bonds1

About (3Z)-3-[(5-bromo-2-pyridinyl)methylidene]cyclohexan-1-amine

(3Z)-3-[(5-bromo-2-pyridinyl)methylidene]cyclohexan-1-amine (PubChem CID 104813685) has the molecular formula C12H15BrN2 and a molecular weight of 267.17 g/mol. Its IUPAC name is (3Z)-3-[(5-bromo-2-pyridinyl)methylidene]cyclohexan-1-amine.

Molecular Properties

Compound Name(3Z)-3-[(5-bromo-2-pyridinyl)methylidene]cyclohexan-1-amine
PubChem CID104813685
Molecular FormulaC12H15BrN2
Molecular Weight267.17 g/mol
Exact Mass266.04
IUPAC Name(3Z)-3-[(5-bromo-2-pyridinyl)methylidene]cyclohexan-1-amine
SMILESNC1CCC/C(=C/c2ccc(Br)cn2)C1
InChIInChI=1S/C12H15BrN2/c13-10-4-5-12(15-8-10)7-9-2-1-3-11(14)6-9/h4-5,7-8,11H,1-3,6,14H2/b9-7-
InChIKeyNSMJNBBQBMNAKT-CLFYSBASSA-N
XLogP3.13
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.17
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(5-bromo-2-pyridinyl)methylidene]cyclohexan-1-amine?
The IUPAC name of (3Z)-3-[(5-bromo-2-pyridinyl)methylidene]cyclohexan-1-amine (CID 104813685) is (3Z)-3-[(5-bromo-2-pyridinyl)methylidene]cyclohexan-1-amine.
What is the SMILES notation for (3Z)-3-[(5-bromo-2-pyridinyl)methylidene]cyclohexan-1-amine?
The canonical SMILES for (3Z)-3-[(5-bromo-2-pyridinyl)methylidene]cyclohexan-1-amine is NC1CCC/C(=C/c2ccc(Br)cn2)C1.
What is the InChIKey of (3Z)-3-[(5-bromo-2-pyridinyl)methylidene]cyclohexan-1-amine?
The InChIKey is NSMJNBBQBMNAKT-CLFYSBASSA-N. The full InChI is InChI=1S/C12H15BrN2/c13-10-4-5-12(15-8-10)7-9-2-1-3-11(14)6-9/h4-5,7-8,11H,1-3,6,14H2/b9-7-.
What are the key properties of (3Z)-3-[(5-bromo-2-pyridinyl)methylidene]cyclohexan-1-amine?
(3Z)-3-[(5-bromo-2-pyridinyl)methylidene]cyclohexan-1-amine has a molecular weight of 267.17 g/mol, XLogP of 3.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(5-bromo-2-pyridinyl)methylidene]cyclohexan-1-amine is sourced from PubChem (CID 104813685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).