N-[(3-methyloxetan-3-yl)methyl]spiro[3.5]nonan-3-amine

C14H25NO — CID 102952093

IUPACN-[(3-methyloxetan-3-yl)methyl]spiro[3.5]nonan-3-amine
SMILESCC1(CNC2CCC23CCCCC3)COC1
InChIInChI=1S/C14H25NO/c1-13(10-16-11-13)9-15-12-5-8-14(12)6-3-2-4-7-14/h12,15H,2-11H2,1H3
InChIKeyRQJRTMUWNNKTLF-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.73
Rot. Bonds3

About N-[(3-methyloxetan-3-yl)methyl]spiro[3.5]nonan-3-amine

N-[(3-methyloxetan-3-yl)methyl]spiro[3.5]nonan-3-amine (PubChem CID 102952093) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is N-[(3-methyloxetan-3-yl)methyl]spiro[3.5]nonan-3-amine.

Molecular Properties

Compound NameN-[(3-methyloxetan-3-yl)methyl]spiro[3.5]nonan-3-amine
PubChem CID102952093
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC NameN-[(3-methyloxetan-3-yl)methyl]spiro[3.5]nonan-3-amine
SMILESCC1(CNC2CCC23CCCCC3)COC1
InChIInChI=1S/C14H25NO/c1-13(10-16-11-13)9-15-12-5-8-14(12)6-3-2-4-7-14/h12,15H,2-11H2,1H3
InChIKeyRQJRTMUWNNKTLF-UHFFFAOYSA-N
XLogP2.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methyloxetan-3-yl)methyl]spiro[3.5]nonan-3-amine?
The IUPAC name of N-[(3-methyloxetan-3-yl)methyl]spiro[3.5]nonan-3-amine (CID 102952093) is N-[(3-methyloxetan-3-yl)methyl]spiro[3.5]nonan-3-amine.
What is the SMILES notation for N-[(3-methyloxetan-3-yl)methyl]spiro[3.5]nonan-3-amine?
The canonical SMILES for N-[(3-methyloxetan-3-yl)methyl]spiro[3.5]nonan-3-amine is CC1(CNC2CCC23CCCCC3)COC1.
What is the InChIKey of N-[(3-methyloxetan-3-yl)methyl]spiro[3.5]nonan-3-amine?
The InChIKey is RQJRTMUWNNKTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-13(10-16-11-13)9-15-12-5-8-14(12)6-3-2-4-7-14/h12,15H,2-11H2,1H3.
What are the key properties of N-[(3-methyloxetan-3-yl)methyl]spiro[3.5]nonan-3-amine?
N-[(3-methyloxetan-3-yl)methyl]spiro[3.5]nonan-3-amine has a molecular weight of 223.36 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyloxetan-3-yl)methyl]spiro[3.5]nonan-3-amine is sourced from PubChem (CID 102952093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).