N-[(1-ethylpyrrolidin-3-yl)methyl]oxan-4-amine

C12H24N2O — CID 60855683

IUPACN-[(1-ethylpyrrolidin-3-yl)methyl]oxan-4-amine
SMILESCCN1CCC(CNC2CCOCC2)C1
InChIInChI=1S/C12H24N2O/c1-2-14-6-3-11(10-14)9-13-12-4-7-15-8-5-12/h11-13H,2-10H2,1H3
InChIKeyPJCMVWKBNBQIRA-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.10
Rot. Bonds4

About N-[(1-ethylpyrrolidin-3-yl)methyl]oxan-4-amine

N-[(1-ethylpyrrolidin-3-yl)methyl]oxan-4-amine (PubChem CID 60855683) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-3-yl)methyl]oxan-4-amine.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-3-yl)methyl]oxan-4-amine
PubChem CID60855683
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC NameN-[(1-ethylpyrrolidin-3-yl)methyl]oxan-4-amine
SMILESCCN1CCC(CNC2CCOCC2)C1
InChIInChI=1S/C12H24N2O/c1-2-14-6-3-11(10-14)9-13-12-4-7-15-8-5-12/h11-13H,2-10H2,1H3
InChIKeyPJCMVWKBNBQIRA-UHFFFAOYSA-N
XLogP1.10
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 ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-[(1-ethylpyrrolidin-3-yl)methyl]cyclohexane-1,4-diamine
CID 79731283
N-[(1-ethylpyrrolidin-3-yl)methyl]pyrrolidin-3-amine
CID 79731365
N-[(1-benzylpyrrolidin-3-yl)methyl]oxan-4-amine
CID 50961692
N-[(1-ethylpiperidin-3-yl)methyl]cyclopentanamine;hydrochloride
CID 115597495
N-[(1-ethylpyrrolidin-3-yl)methyl]-2-methyloxolan-3-amine
CID 115335792
1-butyl-N-(oxan-4-ylmethyl)piperidin-4-amine
CID 62386509
1-ethyl-N-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]piperidin-4-amine
CID 125447400
N-[(1-ethylpyrrolidin-3-yl)methyl]-3-(4-fluorophenyl)cyclobutan-1-amine
CID 60856023
1-(1-ethylpyrrolidin-3-yl)-N-(oxan-3-ylmethyl)methanamine
CID 63740741
N-(cyclobutylmethyl)-1-ethylpiperidin-4-amine
CID 43298506
2-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-(oxan-4-yl)acetamide
CID 120798468
2-[(1-ethylpyrrolidin-3-yl)methylamino]cyclohexan-1-ol
CID 60885885

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-3-yl)methyl]oxan-4-amine?
The IUPAC name of N-[(1-ethylpyrrolidin-3-yl)methyl]oxan-4-amine (CID 60855683) is N-[(1-ethylpyrrolidin-3-yl)methyl]oxan-4-amine.
What is the SMILES notation for N-[(1-ethylpyrrolidin-3-yl)methyl]oxan-4-amine?
The canonical SMILES for N-[(1-ethylpyrrolidin-3-yl)methyl]oxan-4-amine is CCN1CCC(CNC2CCOCC2)C1.
What is the InChIKey of N-[(1-ethylpyrrolidin-3-yl)methyl]oxan-4-amine?
The InChIKey is PJCMVWKBNBQIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-2-14-6-3-11(10-14)9-13-12-4-7-15-8-5-12/h11-13H,2-10H2,1H3.
What are the key properties of N-[(1-ethylpyrrolidin-3-yl)methyl]oxan-4-amine?
N-[(1-ethylpyrrolidin-3-yl)methyl]oxan-4-amine has a molecular weight of 212.34 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-3-yl)methyl]oxan-4-amine is sourced from PubChem (CID 60855683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).