3-methyl-N-(oxolan-3-ylmethyl)piperidin-4-amine

C11H22N2O — CID 130590092

IUPAC3-methyl-N-(oxolan-3-ylmethyl)piperidin-4-amine
SMILESCC1CNCCC1NCC1CCOC1
InChIInChI=1S/C11H22N2O/c1-9-6-12-4-2-11(9)13-7-10-3-5-14-8-10/h9-13H,2-8H2,1H3
InChIKeyAYLSADNQZXTEQY-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.61
Rot. Bonds3

About 3-methyl-N-(oxolan-3-ylmethyl)piperidin-4-amine

3-methyl-N-(oxolan-3-ylmethyl)piperidin-4-amine (PubChem CID 130590092) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 3-methyl-N-(oxolan-3-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound Name3-methyl-N-(oxolan-3-ylmethyl)piperidin-4-amine
PubChem CID130590092
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name3-methyl-N-(oxolan-3-ylmethyl)piperidin-4-amine
SMILESCC1CNCCC1NCC1CCOC1
InChIInChI=1S/C11H22N2O/c1-9-6-12-4-2-11(9)13-7-10-3-5-14-8-10/h9-13H,2-8H2,1H3
InChIKeyAYLSADNQZXTEQY-UHFFFAOYSA-N
XLogP0.61
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(oxolan-3-ylmethyl)-1-pyrrolidin-3-ylmethanamine
CID 63006355
2-ethyl-N-(oxolan-3-ylmethyl)cyclopropan-1-amine
CID 103897099
1,4-dimethyl-N-(oxolan-3-ylmethyl)pyrrolidin-3-amine
CID 130682770
N-(oxolan-3-ylmethyl)-1-piperidin-4-ylmethanamine
CID 62825418
N-(4-methylpiperidin-3-yl)-1-(oxolan-3-yl)methanesulfonamide
CID 120723080
2-methyl-N-(oxan-4-ylmethyl)cyclohexan-1-amine
CID 62384942
N-[[(3S)-oxolan-3-yl]methyl]cyclopropanamine
CID 30427697
N-methyl-1-[(3R)-oxolan-3-yl]methanamine
CID 30427580
N-(oxolan-3-ylmethyl)-2-pyrrolidin-2-ylcyclopentan-1-amine
CID 79543754
N-(3-methylpiperidin-4-yl)oxane-4-carboxamide
CID 79886712
2-methyl-N-(piperidin-3-ylmethyl)cyclohexan-1-amine
CID 80553082
2-methyl-N-(oxan-3-ylmethyl)oxolan-3-amine
CID 115336064

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(oxolan-3-ylmethyl)piperidin-4-amine?
The IUPAC name of 3-methyl-N-(oxolan-3-ylmethyl)piperidin-4-amine (CID 130590092) is 3-methyl-N-(oxolan-3-ylmethyl)piperidin-4-amine.
What is the SMILES notation for 3-methyl-N-(oxolan-3-ylmethyl)piperidin-4-amine?
The canonical SMILES for 3-methyl-N-(oxolan-3-ylmethyl)piperidin-4-amine is CC1CNCCC1NCC1CCOC1.
What is the InChIKey of 3-methyl-N-(oxolan-3-ylmethyl)piperidin-4-amine?
The InChIKey is AYLSADNQZXTEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-9-6-12-4-2-11(9)13-7-10-3-5-14-8-10/h9-13H,2-8H2,1H3.
What are the key properties of 3-methyl-N-(oxolan-3-ylmethyl)piperidin-4-amine?
3-methyl-N-(oxolan-3-ylmethyl)piperidin-4-amine has a molecular weight of 198.31 g/mol, XLogP of 0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(oxolan-3-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 130590092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).