N-ethyl-N-(pyrrolidin-2-ylmethyl)oxan-3-amine

C12H24N2O — CID 106603663

IUPACN-ethyl-N-(pyrrolidin-2-ylmethyl)oxan-3-amine
SMILESCCN(CC1CCCN1)C1CCCOC1
InChIInChI=1S/C12H24N2O/c1-2-14(9-11-5-3-7-13-11)12-6-4-8-15-10-12/h11-13H,2-10H2,1H3
InChIKeyVPUKMTMJZPTYKY-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.24
Rot. Bonds4

About N-ethyl-N-(pyrrolidin-2-ylmethyl)oxan-3-amine

N-ethyl-N-(pyrrolidin-2-ylmethyl)oxan-3-amine (PubChem CID 106603663) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is N-ethyl-N-(pyrrolidin-2-ylmethyl)oxan-3-amine.

Molecular Properties

Compound NameN-ethyl-N-(pyrrolidin-2-ylmethyl)oxan-3-amine
PubChem CID106603663
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC NameN-ethyl-N-(pyrrolidin-2-ylmethyl)oxan-3-amine
SMILESCCN(CC1CCCN1)C1CCCOC1
InChIInChI=1S/C12H24N2O/c1-2-14(9-11-5-3-7-13-11)12-6-4-8-15-10-12/h11-13H,2-10H2,1H3
InChIKeyVPUKMTMJZPTYKY-UHFFFAOYSA-N
XLogP1.24
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]oxolan-3-amine
CID 104870205
N-methyl-N-(pyrrolidin-2-ylmethyl)oxolan-3-amine
CID 82739396
N-ethyl-1-methyl-N-(pyrrolidin-2-ylmethyl)pyrrolidin-3-amine
CID 106603535
N-propyl-N-(pyrrolidin-2-ylmethyl)oxan-4-amine
CID 106604067
N-ethyl-1,1-dioxo-N-(pyrrolidin-2-ylmethyl)thian-4-amine
CID 106603532
N-propyl-N-(pyrrolidin-2-ylmethyl)cyclohexanamine
CID 106603994
N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 4715267
N-ethyl-N-(piperidin-2-ylmethyl)-2-propan-2-yloxan-4-amine
CID 106622747
N-[1-(oxolan-3-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106603851
N-ethyl-3-(2-methylpropyl)-N-(piperidin-2-ylmethyl)cyclohexan-1-amine
CID 107429474
3-[ethyl(oxan-3-yl)amino]propanoic acid
CID 65062378
N-(piperidin-2-ylmethyl)-N-propan-2-yloxolan-3-amine
CID 106622294

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(pyrrolidin-2-ylmethyl)oxan-3-amine?
The IUPAC name of N-ethyl-N-(pyrrolidin-2-ylmethyl)oxan-3-amine (CID 106603663) is N-ethyl-N-(pyrrolidin-2-ylmethyl)oxan-3-amine.
What is the SMILES notation for N-ethyl-N-(pyrrolidin-2-ylmethyl)oxan-3-amine?
The canonical SMILES for N-ethyl-N-(pyrrolidin-2-ylmethyl)oxan-3-amine is CCN(CC1CCCN1)C1CCCOC1.
What is the InChIKey of N-ethyl-N-(pyrrolidin-2-ylmethyl)oxan-3-amine?
The InChIKey is VPUKMTMJZPTYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-2-14(9-11-5-3-7-13-11)12-6-4-8-15-10-12/h11-13H,2-10H2,1H3.
What are the key properties of N-ethyl-N-(pyrrolidin-2-ylmethyl)oxan-3-amine?
N-ethyl-N-(pyrrolidin-2-ylmethyl)oxan-3-amine has a molecular weight of 212.34 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(pyrrolidin-2-ylmethyl)oxan-3-amine is sourced from PubChem (CID 106603663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).