3-(hex-5-ynylamino)-2,2-dimethylcyclobutan-1-ol

C12H21NO — CID 103952197

IUPAC3-(hex-5-ynylamino)-2,2-dimethylcyclobutan-1-ol
SMILESC#CCCCCNC1CC(O)C1(C)C
InChIInChI=1S/C12H21NO/c1-4-5-6-7-8-13-10-9-11(14)12(10,2)3/h1,10-11,13-14H,5-9H2,2-3H3
InChIKeyHOJHZMLXBBTPIP-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.54
Rot. Bonds5

About 3-(hex-5-ynylamino)-2,2-dimethylcyclobutan-1-ol

3-(hex-5-ynylamino)-2,2-dimethylcyclobutan-1-ol (PubChem CID 103952197) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 3-(hex-5-ynylamino)-2,2-dimethylcyclobutan-1-ol.

Molecular Properties

Compound Name3-(hex-5-ynylamino)-2,2-dimethylcyclobutan-1-ol
PubChem CID103952197
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name3-(hex-5-ynylamino)-2,2-dimethylcyclobutan-1-ol
SMILESC#CCCCCNC1CC(O)C1(C)C
InChIInChI=1S/C12H21NO/c1-4-5-6-7-8-13-10-9-11(14)12(10,2)3/h1,10-11,13-14H,5-9H2,2-3H3
InChIKeyHOJHZMLXBBTPIP-UHFFFAOYSA-N
XLogP1.54
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-3-(5-methylsulfanylpentylamino)cyclobutan-1-ol
CID 104926456
2,2-dimethyl-3-(7-methyloctylamino)cyclobutan-1-ol
CID 112633337
2,2-dimethyl-3-(3-pyrrolidin-1-ylpropylamino)cyclobutan-1-ol
CID 112633285
3-(4-hydroxypentylamino)-2,2-dimethylcyclobutan-1-ol
CID 107270162
2,2-dimethyl-3-[4-[methyl(propan-2-yl)amino]butylamino]cyclobutan-1-ol
CID 112633951
N-hex-5-ynyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 114158528
3-(2-methoxyethylamino)-2,2-dimethylcyclobutan-1-ol
CID 112633105
3-(ethylamino)-2,2-dimethylcyclobutan-1-ol
CID 112633093
2,2-dimethyl-3-(3-phenylpropylamino)cyclobutan-1-ol
CID 112633261
3-(2-cyclopentylethylamino)-2,2-dimethylcyclobutan-1-ol
CID 112633763
1-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]cycloheptan-1-ol
CID 112634107
4-(hex-5-ynylamino)cyclohexan-1-ol
CID 106209793

Frequently Asked Questions

What is the IUPAC name of 3-(hex-5-ynylamino)-2,2-dimethylcyclobutan-1-ol?
The IUPAC name of 3-(hex-5-ynylamino)-2,2-dimethylcyclobutan-1-ol (CID 103952197) is 3-(hex-5-ynylamino)-2,2-dimethylcyclobutan-1-ol.
What is the SMILES notation for 3-(hex-5-ynylamino)-2,2-dimethylcyclobutan-1-ol?
The canonical SMILES for 3-(hex-5-ynylamino)-2,2-dimethylcyclobutan-1-ol is C#CCCCCNC1CC(O)C1(C)C.
What is the InChIKey of 3-(hex-5-ynylamino)-2,2-dimethylcyclobutan-1-ol?
The InChIKey is HOJHZMLXBBTPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-4-5-6-7-8-13-10-9-11(14)12(10,2)3/h1,10-11,13-14H,5-9H2,2-3H3.
What are the key properties of 3-(hex-5-ynylamino)-2,2-dimethylcyclobutan-1-ol?
3-(hex-5-ynylamino)-2,2-dimethylcyclobutan-1-ol has a molecular weight of 195.31 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hex-5-ynylamino)-2,2-dimethylcyclobutan-1-ol is sourced from PubChem (CID 103952197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).