N-[[3-[(2-methylpiperidin-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine

C15H30N2O — CID 55051462

IUPACN-[[3-[(2-methylpiperidin-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1(CN2CCCCC2C)CCOC1
InChIInChI=1S/C15H30N2O/c1-13(2)16-10-15(7-9-18-12-15)11-17-8-5-4-6-14(17)3/h13-14,16H,4-12H2,1-3H3
InChIKeyBGHQDBDIVVPRIU-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.27
Rot. Bonds5

About N-[[3-[(2-methylpiperidin-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine

N-[[3-[(2-methylpiperidin-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine (PubChem CID 55051462) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is N-[[3-[(2-methylpiperidin-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-[(2-methylpiperidin-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine
PubChem CID55051462
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC NameN-[[3-[(2-methylpiperidin-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1(CN2CCCCC2C)CCOC1
InChIInChI=1S/C15H30N2O/c1-13(2)16-10-15(7-9-18-12-15)11-17-8-5-4-6-14(17)3/h13-14,16H,4-12H2,1-3H3
InChIKeyBGHQDBDIVVPRIU-UHFFFAOYSA-N
XLogP2.27
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-[(2-methylpiperidin-1-yl)methyl]oxolan-3-yl]methyl]ethanamine
CID 62263729
N-[[3-[(3-methylmorpholin-4-yl)methyl]oxan-3-yl]methyl]propan-2-amine
CID 55243400
N-[[3-[(2-methylpiperidin-1-yl)methyl]oxan-3-yl]methyl]propan-1-amine
CID 63741518
[1-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]piperidin-2-yl]methanol
CID 63740867
2-methyl-N-[[3-[(2-methylpyrrolidin-1-yl)methyl]oxan-3-yl]methyl]propan-1-amine
CID 63740980
N-[[3-[(3,4,5-trimethylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine
CID 114539648
N-[[3-[(4-methylazepan-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine
CID 55249798
N-[[4-[(2-propylpiperidin-1-yl)methyl]oxan-4-yl]methyl]propan-2-amine
CID 83045767
N-[[3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine
CID 83221053
N-[[4-[(2-methylpyrrolidin-1-yl)methyl]oxan-4-yl]methyl]cyclopropanamine
CID 62390400
N-[[4-[(2-methylpyrrolidin-1-yl)methyl]oxan-4-yl]methyl]ethanamine
CID 62390224
N-[[3-[(4-propylpiperidin-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine
CID 62258098

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(2-methylpiperidin-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[3-[(2-methylpiperidin-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine (CID 55051462) is N-[[3-[(2-methylpiperidin-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-[(2-methylpiperidin-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-[(2-methylpiperidin-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine is CC(C)NCC1(CN2CCCCC2C)CCOC1.
What is the InChIKey of N-[[3-[(2-methylpiperidin-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine?
The InChIKey is BGHQDBDIVVPRIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-13(2)16-10-15(7-9-18-12-15)11-17-8-5-4-6-14(17)3/h13-14,16H,4-12H2,1-3H3.
What are the key properties of N-[[3-[(2-methylpiperidin-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine?
N-[[3-[(2-methylpiperidin-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine has a molecular weight of 254.42 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(2-methylpiperidin-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 55051462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).