1-(2-aminospiro[3.3]heptan-6-yl)propan-1-one;hydrochloride

C10H18ClNO — CID 142754446

IUPAC1-(2-aminospiro[3.3]heptan-6-yl)propan-1-one;hydrochloride
SMILESCCC(=O)C1CC2(CC(N)C2)C1.Cl
InChIInChI=1S/C10H17NO.ClH/c1-2-9(12)7-3-10(4-7)5-8(11)6-10;/h7-8H,2-6,11H2,1H3;1H
InChIKeyMYGGYEYBNKREBO-UHFFFAOYSA-N
MW203.71 g/mol
LogP1.90
Rot. Bonds2

About 1-(2-aminospiro[3.3]heptan-6-yl)propan-1-one;hydrochloride

1-(2-aminospiro[3.3]heptan-6-yl)propan-1-one;hydrochloride (PubChem CID 142754446) has the molecular formula C10H18ClNO and a molecular weight of 203.71 g/mol. Its IUPAC name is 1-(2-aminospiro[3.3]heptan-6-yl)propan-1-one;hydrochloride.

Molecular Properties

Compound Name1-(2-aminospiro[3.3]heptan-6-yl)propan-1-one;hydrochloride
PubChem CID142754446
Molecular FormulaC10H18ClNO
Molecular Weight203.71 g/mol
Exact Mass203.11
IUPAC Name1-(2-aminospiro[3.3]heptan-6-yl)propan-1-one;hydrochloride
SMILESCCC(=O)C1CC2(CC(N)C2)C1.Cl
InChIInChI=1S/C10H17NO.ClH/c1-2-9(12)7-3-10(4-7)5-8(11)6-10;/h7-8H,2-6,11H2,1H3;1H
InChIKeyMYGGYEYBNKREBO-UHFFFAOYSA-N
XLogP1.90
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.71
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(4-hydroxycyclohexyl)propan-1-one
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CID 911670
1-[3-(methylamino)cyclobutyl]propan-1-one
CID 165469771
1-(1,3-dithian-5-yl)propan-1-one
CID 58364445
1-(5-aminocyclohex-3-en-1-yl)propan-1-one
CID 165465041
1-[(1S,5R)-5-aminocyclohex-3-en-1-yl]propan-1-one
CID 178190866
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CID 146082168

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminospiro[3.3]heptan-6-yl)propan-1-one;hydrochloride?
The IUPAC name of 1-(2-aminospiro[3.3]heptan-6-yl)propan-1-one;hydrochloride (CID 142754446) is 1-(2-aminospiro[3.3]heptan-6-yl)propan-1-one;hydrochloride.
What is the SMILES notation for 1-(2-aminospiro[3.3]heptan-6-yl)propan-1-one;hydrochloride?
The canonical SMILES for 1-(2-aminospiro[3.3]heptan-6-yl)propan-1-one;hydrochloride is CCC(=O)C1CC2(CC(N)C2)C1.Cl.
What is the InChIKey of 1-(2-aminospiro[3.3]heptan-6-yl)propan-1-one;hydrochloride?
The InChIKey is MYGGYEYBNKREBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO.ClH/c1-2-9(12)7-3-10(4-7)5-8(11)6-10;/h7-8H,2-6,11H2,1H3;1H.
What are the key properties of 1-(2-aminospiro[3.3]heptan-6-yl)propan-1-one;hydrochloride?
1-(2-aminospiro[3.3]heptan-6-yl)propan-1-one;hydrochloride has a molecular weight of 203.71 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminospiro[3.3]heptan-6-yl)propan-1-one;hydrochloride is sourced from PubChem (CID 142754446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).