N-(oxolan-3-ylmethyl)-1-pyrrolidin-3-ylmethanamine

C10H20N2O — CID 63006355

IUPACN-(oxolan-3-ylmethyl)-1-pyrrolidin-3-ylmethanamine
SMILESC1CC(CNCC2CCOC2)CN1
InChIInChI=1S/C10H20N2O/c1-3-11-5-9(1)6-12-7-10-2-4-13-8-10/h9-12H,1-8H2
InChIKeyVKVFZNIGPKGDKQ-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.22
Rot. Bonds4

About N-(oxolan-3-ylmethyl)-1-pyrrolidin-3-ylmethanamine

N-(oxolan-3-ylmethyl)-1-pyrrolidin-3-ylmethanamine (PubChem CID 63006355) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is N-(oxolan-3-ylmethyl)-1-pyrrolidin-3-ylmethanamine.

Molecular Properties

Compound NameN-(oxolan-3-ylmethyl)-1-pyrrolidin-3-ylmethanamine
PubChem CID63006355
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC NameN-(oxolan-3-ylmethyl)-1-pyrrolidin-3-ylmethanamine
SMILESC1CC(CNCC2CCOC2)CN1
InChIInChI=1S/C10H20N2O/c1-3-11-5-9(1)6-12-7-10-2-4-13-8-10/h9-12H,1-8H2
InChIKeyVKVFZNIGPKGDKQ-UHFFFAOYSA-N
XLogP0.22
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(oxolan-3-ylmethyl)-1-piperidin-4-ylmethanamine
CID 62825418
2-(oxan-4-yl)-N-(pyrrolidin-3-ylmethyl)acetamide
CID 115271886
1-(2-methylpiperidin-4-yl)-N-(oxolan-3-ylmethyl)methanamine
CID 106741043
1-(oxan-4-yl)-3-pyrrolidin-3-ylpropan-2-one
CID 116583468
N-(oxolan-3-yl)-2-[(3S)-pyrrolidin-3-yl]acetamide
CID 130763263
3-methyl-N-(oxolan-3-ylmethyl)piperidin-4-amine
CID 130590092
N-(1,4-dioxan-2-ylmethyl)-1-piperidin-3-ylmethanamine
CID 80555087
N-(oxan-2-ylmethyl)-1-pyrrolidin-3-ylmethanamine
CID 63006474
N-methyl-2-(oxolan-3-yl)-N-pyrrolidin-3-ylacetamide
CID 119551379
N-[(4-ethylpiperidin-2-yl)methyl]-1-(oxolan-3-yl)methanamine
CID 114431077
1-[(3S)-oxan-3-yl]-N-[[(3S)-oxan-3-yl]methyl]methanamine
CID 129371205
N-[[(3S)-pyrrolidin-3-yl]methyl]ethanamine;sulfane
CID 159305562

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-3-ylmethyl)-1-pyrrolidin-3-ylmethanamine?
The IUPAC name of N-(oxolan-3-ylmethyl)-1-pyrrolidin-3-ylmethanamine (CID 63006355) is N-(oxolan-3-ylmethyl)-1-pyrrolidin-3-ylmethanamine.
What is the SMILES notation for N-(oxolan-3-ylmethyl)-1-pyrrolidin-3-ylmethanamine?
The canonical SMILES for N-(oxolan-3-ylmethyl)-1-pyrrolidin-3-ylmethanamine is C1CC(CNCC2CCOC2)CN1.
What is the InChIKey of N-(oxolan-3-ylmethyl)-1-pyrrolidin-3-ylmethanamine?
The InChIKey is VKVFZNIGPKGDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-3-11-5-9(1)6-12-7-10-2-4-13-8-10/h9-12H,1-8H2.
What are the key properties of N-(oxolan-3-ylmethyl)-1-pyrrolidin-3-ylmethanamine?
N-(oxolan-3-ylmethyl)-1-pyrrolidin-3-ylmethanamine has a molecular weight of 184.28 g/mol, XLogP of 0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-3-ylmethyl)-1-pyrrolidin-3-ylmethanamine is sourced from PubChem (CID 63006355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).