N-methyl-1-[1-(6-oxaspiro[4.5]decan-9-yl)piperidin-3-yl]methanamine

C16H30N2O — CID 79900888

IUPACN-methyl-1-[1-(6-oxaspiro[4.5]decan-9-yl)piperidin-3-yl]methanamine
SMILESCNCC1CCCN(C2CCOC3(CCCC3)C2)C1
InChIInChI=1S/C16H30N2O/c1-17-12-14-5-4-9-18(13-14)15-6-10-19-16(11-15)7-2-3-8-16/h14-15,17H,2-13H2,1H3
InChIKeyPUQOUUFBPKDDHE-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.41
Rot. Bonds3

About N-methyl-1-[1-(6-oxaspiro[4.5]decan-9-yl)piperidin-3-yl]methanamine

N-methyl-1-[1-(6-oxaspiro[4.5]decan-9-yl)piperidin-3-yl]methanamine (PubChem CID 79900888) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is N-methyl-1-[1-(6-oxaspiro[4.5]decan-9-yl)piperidin-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(6-oxaspiro[4.5]decan-9-yl)piperidin-3-yl]methanamine
PubChem CID79900888
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC NameN-methyl-1-[1-(6-oxaspiro[4.5]decan-9-yl)piperidin-3-yl]methanamine
SMILESCNCC1CCCN(C2CCOC3(CCCC3)C2)C1
InChIInChI=1S/C16H30N2O/c1-17-12-14-5-4-9-18(13-14)15-6-10-19-16(11-15)7-2-3-8-16/h14-15,17H,2-13H2,1H3
InChIKeyPUQOUUFBPKDDHE-UHFFFAOYSA-N
XLogP2.41
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidin-3-yl]methanamine
CID 79901473
N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)piperidin-3-amine
CID 79900304
2-[[1-(5-oxaspiro[3.5]nonan-8-yl)piperidin-3-yl]methylamino]acetic acid
CID 106814138
N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)piperidin-3-amine
CID 79900305
[1-(1-oxaspiro[5.5]undecan-4-yl)pyrrolidin-3-yl]methanamine
CID 79902247
1-(1-oxaspiro[5.5]undecan-4-yl)azetidin-3-amine
CID 79900905
1-[1-(6-oxaspiro[4.5]decan-9-yl)piperidin-3-yl]ethanamine
CID 79904682
methyl (3S)-1-(6-oxaspiro[4.5]decan-9-yl)piperidine-3-carboxylate
CID 115537477
2-[1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)piperidin-3-yl]ethanol
CID 79920750
N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)piperidin-4-amine
CID 79904478
2-[1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)piperidin-3-yl]acetic acid
CID 79901134
3-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)piperazine
CID 79902020

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(6-oxaspiro[4.5]decan-9-yl)piperidin-3-yl]methanamine?
The IUPAC name of N-methyl-1-[1-(6-oxaspiro[4.5]decan-9-yl)piperidin-3-yl]methanamine (CID 79900888) is N-methyl-1-[1-(6-oxaspiro[4.5]decan-9-yl)piperidin-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-(6-oxaspiro[4.5]decan-9-yl)piperidin-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-(6-oxaspiro[4.5]decan-9-yl)piperidin-3-yl]methanamine is CNCC1CCCN(C2CCOC3(CCCC3)C2)C1.
What is the InChIKey of N-methyl-1-[1-(6-oxaspiro[4.5]decan-9-yl)piperidin-3-yl]methanamine?
The InChIKey is PUQOUUFBPKDDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-17-12-14-5-4-9-18(13-14)15-6-10-19-16(11-15)7-2-3-8-16/h14-15,17H,2-13H2,1H3.
What are the key properties of N-methyl-1-[1-(6-oxaspiro[4.5]decan-9-yl)piperidin-3-yl]methanamine?
N-methyl-1-[1-(6-oxaspiro[4.5]decan-9-yl)piperidin-3-yl]methanamine has a molecular weight of 266.43 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(6-oxaspiro[4.5]decan-9-yl)piperidin-3-yl]methanamine is sourced from PubChem (CID 79900888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).