1-(3-ethynylcyclobutyl)piperidin-4-amine

C11H18N2 — CID 163376736

IUPAC1-(3-ethynylcyclobutyl)piperidin-4-amine
SMILESC#CC1CC(N2CCC(N)CC2)C1
InChIInChI=1S/C11H18N2/c1-2-9-7-11(8-9)13-5-3-10(12)4-6-13/h1,9-11H,3-8,12H2
InChIKeySYNVSNJCZZNVJN-UHFFFAOYSA-N
MW178.28 g/mol
LogP0.82
Rot. Bonds1

About 1-(3-ethynylcyclobutyl)piperidin-4-amine

1-(3-ethynylcyclobutyl)piperidin-4-amine (PubChem CID 163376736) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 1-(3-ethynylcyclobutyl)piperidin-4-amine.

Molecular Properties

Compound Name1-(3-ethynylcyclobutyl)piperidin-4-amine
PubChem CID163376736
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name1-(3-ethynylcyclobutyl)piperidin-4-amine
SMILESC#CC1CC(N2CCC(N)CC2)C1
InChIInChI=1S/C11H18N2/c1-2-9-7-11(8-9)13-5-3-10(12)4-6-13/h1,9-11H,3-8,12H2
InChIKeySYNVSNJCZZNVJN-UHFFFAOYSA-N
XLogP0.82
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-ethynylcyclobutan-1-amine
CID 136576216
1-cyclopentyl-4-ethynylpiperidine
CID 53364687
(2S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-amine
CID 12783916
(2R,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-amine
CID 51670154
4-(4-aminopiperidin-1-yl)piperidin-2-ol
CID 163909105
3-(azocan-1-yl)cyclobutan-1-amine
CID 80561417
3-(azonan-1-yl)cyclobutan-1-amine
CID 130631518
4-(4-piperidin-1-ylpiperidin-1-yl)cyclohexan-1-amine
CID 62806389
1-(5-methylthiolan-3-yl)piperidin-4-amine
CID 79950607
1-(4-aminocyclohexyl)piperidin-4-ol;methane
CID 146013506
4-(azepan-1-yl)cyclohexan-1-amine
CID 62807611
4-pyrrolidin-1-ylcyclohexan-1-amine;dihydrochloride
CID 119057158

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethynylcyclobutyl)piperidin-4-amine?
The IUPAC name of 1-(3-ethynylcyclobutyl)piperidin-4-amine (CID 163376736) is 1-(3-ethynylcyclobutyl)piperidin-4-amine.
What is the SMILES notation for 1-(3-ethynylcyclobutyl)piperidin-4-amine?
The canonical SMILES for 1-(3-ethynylcyclobutyl)piperidin-4-amine is C#CC1CC(N2CCC(N)CC2)C1.
What is the InChIKey of 1-(3-ethynylcyclobutyl)piperidin-4-amine?
The InChIKey is SYNVSNJCZZNVJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-2-9-7-11(8-9)13-5-3-10(12)4-6-13/h1,9-11H,3-8,12H2.
What are the key properties of 1-(3-ethynylcyclobutyl)piperidin-4-amine?
1-(3-ethynylcyclobutyl)piperidin-4-amine has a molecular weight of 178.28 g/mol, XLogP of 0.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethynylcyclobutyl)piperidin-4-amine is sourced from PubChem (CID 163376736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).