N-[(1-methylcyclopropyl)methyl]-5-oxaspiro[3.5]nonan-8-amine

C13H23NO — CID 107166629

IUPACN-[(1-methylcyclopropyl)methyl]-5-oxaspiro[3.5]nonan-8-amine
SMILESCC1(CNC2CCOC3(CCC3)C2)CC1
InChIInChI=1S/C13H23NO/c1-12(6-7-12)10-14-11-3-8-15-13(9-11)4-2-5-13/h11,14H,2-10H2,1H3
InChIKeyPIFSAROBWYEVTO-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.48
Rot. Bonds3

About N-[(1-methylcyclopropyl)methyl]-5-oxaspiro[3.5]nonan-8-amine

N-[(1-methylcyclopropyl)methyl]-5-oxaspiro[3.5]nonan-8-amine (PubChem CID 107166629) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is N-[(1-methylcyclopropyl)methyl]-5-oxaspiro[3.5]nonan-8-amine.

Molecular Properties

Compound NameN-[(1-methylcyclopropyl)methyl]-5-oxaspiro[3.5]nonan-8-amine
PubChem CID107166629
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC NameN-[(1-methylcyclopropyl)methyl]-5-oxaspiro[3.5]nonan-8-amine
SMILESCC1(CNC2CCOC3(CCC3)C2)CC1
InChIInChI=1S/C13H23NO/c1-12(6-7-12)10-14-11-3-8-15-13(9-11)4-2-5-13/h11,14H,2-10H2,1H3
InChIKeyPIFSAROBWYEVTO-UHFFFAOYSA-N
XLogP2.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-methylcyclopentyl)methyl]-1-oxaspiro[5.5]undecan-4-amine
CID 79903273
N-[(1,4-dimethylpiperidin-4-yl)methyl]-5-oxaspiro[3.5]nonan-8-amine
CID 107163812
N-[(1,4-dimethylpiperidin-4-yl)methyl]-6-oxaspiro[4.5]decan-9-amine
CID 107163672
N-[(1-methylcyclopropyl)methyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 107166637
N-(2-methylpropyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79898518
[1-[(5-oxaspiro[3.5]nonan-8-ylamino)methyl]cyclohexyl]methanol
CID 103966489
N'-(5-oxaspiro[3.5]nonan-8-yl)ethane-1,2-diamine
CID 79895111
4-[(6-oxaspiro[4.5]decan-9-ylamino)methyl]oxan-4-ol
CID 81130792
[1-[(1-oxaspiro[5.5]undecan-4-ylamino)methyl]cyclohexyl]methanol
CID 103966384
N-(1-methylcyclopentyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79895072
N-(oxan-4-ylmethyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79903433
N-(2,2-dicyclopropylethyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79903465

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylcyclopropyl)methyl]-5-oxaspiro[3.5]nonan-8-amine?
The IUPAC name of N-[(1-methylcyclopropyl)methyl]-5-oxaspiro[3.5]nonan-8-amine (CID 107166629) is N-[(1-methylcyclopropyl)methyl]-5-oxaspiro[3.5]nonan-8-amine.
What is the SMILES notation for N-[(1-methylcyclopropyl)methyl]-5-oxaspiro[3.5]nonan-8-amine?
The canonical SMILES for N-[(1-methylcyclopropyl)methyl]-5-oxaspiro[3.5]nonan-8-amine is CC1(CNC2CCOC3(CCC3)C2)CC1.
What is the InChIKey of N-[(1-methylcyclopropyl)methyl]-5-oxaspiro[3.5]nonan-8-amine?
The InChIKey is PIFSAROBWYEVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-12(6-7-12)10-14-11-3-8-15-13(9-11)4-2-5-13/h11,14H,2-10H2,1H3.
What are the key properties of N-[(1-methylcyclopropyl)methyl]-5-oxaspiro[3.5]nonan-8-amine?
N-[(1-methylcyclopropyl)methyl]-5-oxaspiro[3.5]nonan-8-amine has a molecular weight of 209.33 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylcyclopropyl)methyl]-5-oxaspiro[3.5]nonan-8-amine is sourced from PubChem (CID 107166629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).