[2-(aminomethyl)spiro[3.3]heptan-2-yl]methanol

C9H17NO — CID 65009546

IUPAC[2-(aminomethyl)spiro[3.3]heptan-2-yl]methanol
SMILESNCC1(CO)CC2(CCC2)C1
InChIInChI=1S/C9H17NO/c10-6-9(7-11)4-8(5-9)2-1-3-8/h11H,1-7,10H2
InChIKeyPRPSGKZXWAYDFX-UHFFFAOYSA-N
MW155.24 g/mol
LogP0.89
Rot. Bonds2

About [2-(aminomethyl)spiro[3.3]heptan-2-yl]methanol

[2-(aminomethyl)spiro[3.3]heptan-2-yl]methanol (PubChem CID 65009546) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is [2-(aminomethyl)spiro[3.3]heptan-2-yl]methanol.

Molecular Properties

Compound Name[2-(aminomethyl)spiro[3.3]heptan-2-yl]methanol
PubChem CID65009546
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name[2-(aminomethyl)spiro[3.3]heptan-2-yl]methanol
SMILESNCC1(CO)CC2(CCC2)C1
InChIInChI=1S/C9H17NO/c10-6-9(7-11)4-8(5-9)2-1-3-8/h11H,1-7,10H2
InChIKeyPRPSGKZXWAYDFX-UHFFFAOYSA-N
XLogP0.89
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)spiro[3.3]heptan-2-yl]methanol?
The IUPAC name of [2-(aminomethyl)spiro[3.3]heptan-2-yl]methanol (CID 65009546) is [2-(aminomethyl)spiro[3.3]heptan-2-yl]methanol.
What is the SMILES notation for [2-(aminomethyl)spiro[3.3]heptan-2-yl]methanol?
The canonical SMILES for [2-(aminomethyl)spiro[3.3]heptan-2-yl]methanol is NCC1(CO)CC2(CCC2)C1.
What is the InChIKey of [2-(aminomethyl)spiro[3.3]heptan-2-yl]methanol?
The InChIKey is PRPSGKZXWAYDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c10-6-9(7-11)4-8(5-9)2-1-3-8/h11H,1-7,10H2.
What are the key properties of [2-(aminomethyl)spiro[3.3]heptan-2-yl]methanol?
[2-(aminomethyl)spiro[3.3]heptan-2-yl]methanol has a molecular weight of 155.24 g/mol, XLogP of 0.89, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)spiro[3.3]heptan-2-yl]methanol is sourced from PubChem (CID 65009546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).