N-(pyrrolidin-3-ylmethyl)oxolan-2-amine

C9H18N2O — CID 105434589

IUPACN-(pyrrolidin-3-ylmethyl)oxolan-2-amine
SMILESC1COC(NCC2CCNC2)C1
InChIInChI=1S/C9H18N2O/c1-2-9(12-5-1)11-7-8-3-4-10-6-8/h8-11H,1-7H2
InChIKeyDVTVRGOZPHSASV-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.32
Rot. Bonds3

About N-(pyrrolidin-3-ylmethyl)oxolan-2-amine

N-(pyrrolidin-3-ylmethyl)oxolan-2-amine (PubChem CID 105434589) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is N-(pyrrolidin-3-ylmethyl)oxolan-2-amine.

Molecular Properties

Compound NameN-(pyrrolidin-3-ylmethyl)oxolan-2-amine
PubChem CID105434589
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC NameN-(pyrrolidin-3-ylmethyl)oxolan-2-amine
SMILESC1COC(NCC2CCNC2)C1
InChIInChI=1S/C9H18N2O/c1-2-9(12-5-1)11-7-8-3-4-10-6-8/h8-11H,1-7H2
InChIKeyDVTVRGOZPHSASV-UHFFFAOYSA-N
XLogP0.32
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-fluoropyrrolidin-3-yl)methyl]oxolan-2-amine
CID 105443212
N'-(oxolan-3-ylmethyl)propane-1,3-diamine
CID 10909843
1-(oxolan-3-yl)-N-(oxolan-3-ylmethyl)methanamine
CID 19606862
4-Pyrrolidin-2-yloxybutan-1-amine
CID 59180664
N'-(oxolan-3-ylmethyl)butane-1,4-diamine
CID 60895251
2-Pyrrolidin-2-yloxypyrrolidine
CID 141262171
3-Methyloxolane;3-methylpyrrolidine
CID 160167304
Methane;4-pyrrolidin-2-yloxybutan-1-amine
CID 161855769
N-(oxolan-3-ylmethyl)-2-pyrrolidin-1-ylethanamine
CID 43203404
N-(oxolan-3-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 43203894
2-methyl-N-[[3-(pyrrolidin-1-ylmethyl)oxolan-3-yl]methyl]propan-1-amine
CID 55051945
2-methyl-N-[[1-(oxolan-3-ylmethyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 55118867

Frequently Asked Questions

What is the IUPAC name of N-(pyrrolidin-3-ylmethyl)oxolan-2-amine?
The IUPAC name of N-(pyrrolidin-3-ylmethyl)oxolan-2-amine (CID 105434589) is N-(pyrrolidin-3-ylmethyl)oxolan-2-amine.
What is the SMILES notation for N-(pyrrolidin-3-ylmethyl)oxolan-2-amine?
The canonical SMILES for N-(pyrrolidin-3-ylmethyl)oxolan-2-amine is C1COC(NCC2CCNC2)C1.
What is the InChIKey of N-(pyrrolidin-3-ylmethyl)oxolan-2-amine?
The InChIKey is DVTVRGOZPHSASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-2-9(12-5-1)11-7-8-3-4-10-6-8/h8-11H,1-7H2.
What are the key properties of N-(pyrrolidin-3-ylmethyl)oxolan-2-amine?
N-(pyrrolidin-3-ylmethyl)oxolan-2-amine has a molecular weight of 170.26 g/mol, XLogP of 0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyrrolidin-3-ylmethyl)oxolan-2-amine is sourced from PubChem (CID 105434589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).