[(2R)-2-cyclohexylbutyl]-methylazanium

C11H24N+ — CID 1274495

IUPAC[(2R)-2-cyclohexylbutyl]-methylazanium
SMILESCC[C@@H](C[NH2+]C)C1CCCCC1
InChIInChI=1S/C11H23N/c1-3-10(9-12-2)11-7-5-4-6-8-11/h10-12H,3-9H2,1-2H3/p+1/t10-/m0/s1
InChIKeyAEWBGHOHWDQEBZ-JTQLQIEISA-O
MW170.32 g/mol
LogP1.79
Rot. Bonds4

About [(2R)-2-cyclohexylbutyl]-methylazanium

[(2R)-2-cyclohexylbutyl]-methylazanium (PubChem CID 1274495) has the molecular formula C11H24N+ and a molecular weight of 170.32 g/mol. Its IUPAC name is [(2R)-2-cyclohexylbutyl]-methylazanium.

Molecular Properties

Compound Name[(2R)-2-cyclohexylbutyl]-methylazanium
PubChem CID1274495
Molecular FormulaC11H24N+
Molecular Weight170.32 g/mol
Exact Mass170.19
IUPAC Name[(2R)-2-cyclohexylbutyl]-methylazanium
SMILESCC[C@@H](C[NH2+]C)C1CCCCC1
InChIInChI=1S/C11H23N/c1-3-10(9-12-2)11-7-5-4-6-8-11/h10-12H,3-9H2,1-2H3/p+1/t10-/m0/s1
InChIKeyAEWBGHOHWDQEBZ-JTQLQIEISA-O
XLogP1.79
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.32
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

(2S)-2-cyclooctylbutan-1-ol
CID 122210665
1-cyclopropylbutan-2-ylcyclopentane
CID 142060963
[(3S)-5-methylhexan-3-yl]cyclopentane
CID 152864730
4-cyclohexylhexan-2-ol
CID 11830109
pentan-3-ylcyclopropane
CID 19042038
5-cyclohexylheptan-2-ol
CID 89364025
4-(2-cyclohexylbutyl)cyclohexan-1-ol
CID 143270572
1-methyl-5-pentan-3-ylcyclooctane
CID 161233743
5-methylhexan-3-ylcyclohexane;prop-1-ene
CID 143963262
7-cyclohexylheptan-3-ylcyclohexane
CID 90866446
1,3-dicyclohexylpentan-1-one
CID 145376724
1-(2-cycloheptylbutyl)cyclooctan-1-amine
CID 166977672

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-cyclohexylbutyl]-methylazanium?
The IUPAC name of [(2R)-2-cyclohexylbutyl]-methylazanium (CID 1274495) is [(2R)-2-cyclohexylbutyl]-methylazanium.
What is the SMILES notation for [(2R)-2-cyclohexylbutyl]-methylazanium?
The canonical SMILES for [(2R)-2-cyclohexylbutyl]-methylazanium is CC[C@@H](C[NH2+]C)C1CCCCC1.
What is the InChIKey of [(2R)-2-cyclohexylbutyl]-methylazanium?
The InChIKey is AEWBGHOHWDQEBZ-JTQLQIEISA-O. The full InChI is InChI=1S/C11H23N/c1-3-10(9-12-2)11-7-5-4-6-8-11/h10-12H,3-9H2,1-2H3/p+1/t10-/m0/s1.
What are the key properties of [(2R)-2-cyclohexylbutyl]-methylazanium?
[(2R)-2-cyclohexylbutyl]-methylazanium has a molecular weight of 170.32 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-cyclohexylbutyl]-methylazanium is sourced from PubChem (CID 1274495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).