[1-(aminomethyl)cyclobutyl]-cyclohex-3-en-1-ylmethanol

C12H21NO — CID 79137826

IUPAC[1-(aminomethyl)cyclobutyl]-cyclohex-3-en-1-ylmethanol
SMILESNCC1(C(O)C2CC=CCC2)CCC1
InChIInChI=1S/C12H21NO/c13-9-12(7-4-8-12)11(14)10-5-2-1-3-6-10/h1-2,10-11,14H,3-9,13H2
InChIKeyBHHSYGNJJSYKPG-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.83
Rot. Bonds3

About [1-(aminomethyl)cyclobutyl]-cyclohex-3-en-1-ylmethanol

[1-(aminomethyl)cyclobutyl]-cyclohex-3-en-1-ylmethanol (PubChem CID 79137826) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is [1-(aminomethyl)cyclobutyl]-cyclohex-3-en-1-ylmethanol.

Molecular Properties

Compound Name[1-(aminomethyl)cyclobutyl]-cyclohex-3-en-1-ylmethanol
PubChem CID79137826
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name[1-(aminomethyl)cyclobutyl]-cyclohex-3-en-1-ylmethanol
SMILESNCC1(C(O)C2CC=CCC2)CCC1
InChIInChI=1S/C12H21NO/c13-9-12(7-4-8-12)11(14)10-5-2-1-3-6-10/h1-2,10-11,14H,3-9,13H2
InChIKeyBHHSYGNJJSYKPG-UHFFFAOYSA-N
XLogP1.83
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

CID 154932075
CID 154932075
CID 79137537
CID 79137537
CID 79137538
CID 79137538
CID 79137824
CID 79137824
CID 79137923
CID 79137923
CID 79137924
CID 79137924
CID 79137925
CID 79137925
CID 79138014
CID 79138014
CID 79138015
CID 79138015
CID 79138016
CID 79138016
CID 79138302
CID 79138302
CID 79138395
CID 79138395

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cyclobutyl]-cyclohex-3-en-1-ylmethanol?
The IUPAC name of [1-(aminomethyl)cyclobutyl]-cyclohex-3-en-1-ylmethanol (CID 79137826) is [1-(aminomethyl)cyclobutyl]-cyclohex-3-en-1-ylmethanol.
What is the SMILES notation for [1-(aminomethyl)cyclobutyl]-cyclohex-3-en-1-ylmethanol?
The canonical SMILES for [1-(aminomethyl)cyclobutyl]-cyclohex-3-en-1-ylmethanol is NCC1(C(O)C2CC=CCC2)CCC1.
What is the InChIKey of [1-(aminomethyl)cyclobutyl]-cyclohex-3-en-1-ylmethanol?
The InChIKey is BHHSYGNJJSYKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c13-9-12(7-4-8-12)11(14)10-5-2-1-3-6-10/h1-2,10-11,14H,3-9,13H2.
What are the key properties of [1-(aminomethyl)cyclobutyl]-cyclohex-3-en-1-ylmethanol?
[1-(aminomethyl)cyclobutyl]-cyclohex-3-en-1-ylmethanol has a molecular weight of 195.31 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cyclobutyl]-cyclohex-3-en-1-ylmethanol is sourced from PubChem (CID 79137826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).