N-(oxan-2-ylmethyl)-1-pyrrolidin-3-ylmethanamine

C11H22N2O — CID 63006474

IUPACN-(oxan-2-ylmethyl)-1-pyrrolidin-3-ylmethanamine
SMILESC1CCC(CNCC2CCNC2)OC1
InChIInChI=1S/C11H22N2O/c1-2-6-14-11(3-1)9-13-8-10-4-5-12-7-10/h10-13H,1-9H2
InChIKeyKUAFJFJPCDYHKC-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.75
Rot. Bonds4

About N-(oxan-2-ylmethyl)-1-pyrrolidin-3-ylmethanamine

N-(oxan-2-ylmethyl)-1-pyrrolidin-3-ylmethanamine (PubChem CID 63006474) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is N-(oxan-2-ylmethyl)-1-pyrrolidin-3-ylmethanamine.

Molecular Properties

Compound NameN-(oxan-2-ylmethyl)-1-pyrrolidin-3-ylmethanamine
PubChem CID63006474
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC NameN-(oxan-2-ylmethyl)-1-pyrrolidin-3-ylmethanamine
SMILESC1CCC(CNCC2CCNC2)OC1
InChIInChI=1S/C11H22N2O/c1-2-6-14-11(3-1)9-13-8-10-4-5-12-7-10/h10-13H,1-9H2
InChIKeyKUAFJFJPCDYHKC-UHFFFAOYSA-N
XLogP0.75
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(oxan-2-ylmethyl)pyrrolidine
CID 104680485
1-(oxan-2-yl)-N-(pyrrolidin-3-ylmethyl)methanesulfonamide
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3-[2-(oxan-2-yl)ethyl]pyrrolidine;hydrochloride
CID 126844630
1-cyclopropyl-N-(oxolan-2-ylmethyl)methanamine
CID 3607647
N-(1,4-dioxan-2-ylmethyl)-1-piperidin-3-ylmethanamine
CID 80555087
N-(oxan-2-ylmethyl)-1-(oxolan-3-yl)methanamine
CID 61038711
3-[2-(oxolan-2-yl)ethyl]pyrrolidine
CID 104680566
2-(azetidin-3-yl)-N-(oxolan-2-ylmethyl)ethanamine
CID 116679543
N-(oxolan-3-ylmethyl)-1-pyrrolidin-3-ylmethanamine
CID 63006355
N-(pyrrolidin-3-ylmethyl)oxolan-2-amine
CID 105434589
1-(azepan-3-yl)-3-(oxan-2-ylmethyl)urea
CID 117235074
N-(oxiran-2-ylmethyl)-1-(oxolan-2-yl)methanamine
CID 126662658

Frequently Asked Questions

What is the IUPAC name of N-(oxan-2-ylmethyl)-1-pyrrolidin-3-ylmethanamine?
The IUPAC name of N-(oxan-2-ylmethyl)-1-pyrrolidin-3-ylmethanamine (CID 63006474) is N-(oxan-2-ylmethyl)-1-pyrrolidin-3-ylmethanamine.
What is the SMILES notation for N-(oxan-2-ylmethyl)-1-pyrrolidin-3-ylmethanamine?
The canonical SMILES for N-(oxan-2-ylmethyl)-1-pyrrolidin-3-ylmethanamine is C1CCC(CNCC2CCNC2)OC1.
What is the InChIKey of N-(oxan-2-ylmethyl)-1-pyrrolidin-3-ylmethanamine?
The InChIKey is KUAFJFJPCDYHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-2-6-14-11(3-1)9-13-8-10-4-5-12-7-10/h10-13H,1-9H2.
What are the key properties of N-(oxan-2-ylmethyl)-1-pyrrolidin-3-ylmethanamine?
N-(oxan-2-ylmethyl)-1-pyrrolidin-3-ylmethanamine has a molecular weight of 198.31 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-2-ylmethyl)-1-pyrrolidin-3-ylmethanamine is sourced from PubChem (CID 63006474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).