[(1S,2S)-2-butan-2-ylcyclohexyl]methanamine

C11H23N — CID 167231134

IUPAC[(1S,2S)-2-butan-2-ylcyclohexyl]methanamine
SMILESCCC(C)[C@@H]1CCCC[C@@H]1CN
InChIInChI=1S/C11H23N/c1-3-9(2)11-7-5-4-6-10(11)8-12/h9-11H,3-8,12H2,1-2H3/t9?,10-,11+/m1/s1
InChIKeyQFVMULWSGMYJSC-ZOCYIJKUSA-N
MW169.31 g/mol
LogP2.80
Rot. Bonds3

About [(1S,2S)-2-butan-2-ylcyclohexyl]methanamine

[(1S,2S)-2-butan-2-ylcyclohexyl]methanamine (PubChem CID 167231134) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is [(1S,2S)-2-butan-2-ylcyclohexyl]methanamine.

Molecular Properties

Compound Name[(1S,2S)-2-butan-2-ylcyclohexyl]methanamine
PubChem CID167231134
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name[(1S,2S)-2-butan-2-ylcyclohexyl]methanamine
SMILESCCC(C)[C@@H]1CCCC[C@@H]1CN
InChIInChI=1S/C11H23N/c1-3-9(2)11-7-5-4-6-10(11)8-12/h9-11H,3-8,12H2,1-2H3/t9?,10-,11+/m1/s1
InChIKeyQFVMULWSGMYJSC-ZOCYIJKUSA-N
XLogP2.80
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-2-butan-2-ylcyclohexyl]methanamine?
The IUPAC name of [(1S,2S)-2-butan-2-ylcyclohexyl]methanamine (CID 167231134) is [(1S,2S)-2-butan-2-ylcyclohexyl]methanamine.
What is the SMILES notation for [(1S,2S)-2-butan-2-ylcyclohexyl]methanamine?
The canonical SMILES for [(1S,2S)-2-butan-2-ylcyclohexyl]methanamine is CCC(C)[C@@H]1CCCC[C@@H]1CN.
What is the InChIKey of [(1S,2S)-2-butan-2-ylcyclohexyl]methanamine?
The InChIKey is QFVMULWSGMYJSC-ZOCYIJKUSA-N. The full InChI is InChI=1S/C11H23N/c1-3-9(2)11-7-5-4-6-10(11)8-12/h9-11H,3-8,12H2,1-2H3/t9?,10-,11+/m1/s1.
What are the key properties of [(1S,2S)-2-butan-2-ylcyclohexyl]methanamine?
[(1S,2S)-2-butan-2-ylcyclohexyl]methanamine has a molecular weight of 169.31 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2-butan-2-ylcyclohexyl]methanamine is sourced from PubChem (CID 167231134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).