N-[[1-[(3-methoxyoxolan-3-yl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine

C14H28N2O2 — CID 104762040

IUPACN-[[1-[(3-methoxyoxolan-3-yl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine
SMILESCOC1(CN2CCC(CNC(C)C)C2)CCOC1
InChIInChI=1S/C14H28N2O2/c1-12(2)15-8-13-4-6-16(9-13)10-14(17-3)5-7-18-11-14/h12-13,15H,4-11H2,1-3H3
InChIKeyXNTUFPHULJCZCH-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.11
Rot. Bonds6

About N-[[1-[(3-methoxyoxolan-3-yl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine

N-[[1-[(3-methoxyoxolan-3-yl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine (PubChem CID 104762040) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is N-[[1-[(3-methoxyoxolan-3-yl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[(3-methoxyoxolan-3-yl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine
PubChem CID104762040
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC NameN-[[1-[(3-methoxyoxolan-3-yl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine
SMILESCOC1(CN2CCC(CNC(C)C)C2)CCOC1
InChIInChI=1S/C14H28N2O2/c1-12(2)15-8-13-4-6-16(9-13)10-14(17-3)5-7-18-11-14/h12-13,15H,4-11H2,1-3H3
InChIKeyXNTUFPHULJCZCH-UHFFFAOYSA-N
XLogP1.11
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[1-[(3-methoxyoxolan-3-yl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine with MolForge

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Related Compounds

1-[(3-methoxyoxolan-3-yl)methyl]-N,3-dimethylpiperidin-4-amine
CID 113450335
1-[(3-methoxyoxolan-3-yl)methyl]-3-methylpiperidin-4-amine
CID 104761944
N-[[1-[(1-cyclopropylcyclopropyl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 114095644
N-ethyl-1-[(3-methoxyoxolan-3-yl)methyl]piperidin-4-amine
CID 104761942
N-[[1-(2-morpholin-4-ylethyl)piperidin-4-yl]methyl]propan-2-amine
CID 62591322
3-ethyl-1-[(3-methoxyoxolan-3-yl)methyl]piperazine
CID 104766369
3-tert-butyl-1-[(3-methoxyoxolan-3-yl)methyl]-1,4-diazepane
CID 104766407
N-[[1-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 79358464
5-ethyl-1-[(3-methoxyoxolan-3-yl)methyl]-1,4-diazepane
CID 113450811
N-[(3-methoxyoxolan-3-yl)methyl]-1-(1-propylpiperidin-3-yl)ethanamine
CID 104759640
N-[[1-(oxolan-2-ylmethyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 62513685
1-[(3-methoxyoxolan-3-yl)methyl]-3-(propan-2-ylamino)piperidin-2-one
CID 104766153

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3-methoxyoxolan-3-yl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[(3-methoxyoxolan-3-yl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine (CID 104762040) is N-[[1-[(3-methoxyoxolan-3-yl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[(3-methoxyoxolan-3-yl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[(3-methoxyoxolan-3-yl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine is COC1(CN2CCC(CNC(C)C)C2)CCOC1.
What is the InChIKey of N-[[1-[(3-methoxyoxolan-3-yl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine?
The InChIKey is XNTUFPHULJCZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-12(2)15-8-13-4-6-16(9-13)10-14(17-3)5-7-18-11-14/h12-13,15H,4-11H2,1-3H3.
What are the key properties of N-[[1-[(3-methoxyoxolan-3-yl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine?
N-[[1-[(3-methoxyoxolan-3-yl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine has a molecular weight of 256.39 g/mol, XLogP of 1.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3-methoxyoxolan-3-yl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 104762040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).