N-[[4-[(2-ethylpyrrolidin-1-yl)methyl]oxan-4-yl]methyl]propan-2-amine

C16H32N2O — CID 55066617

IUPACN-[[4-[(2-ethylpyrrolidin-1-yl)methyl]oxan-4-yl]methyl]propan-2-amine
SMILESCCC1CCCN1CC1(CNC(C)C)CCOCC1
InChIInChI=1S/C16H32N2O/c1-4-15-6-5-9-18(15)13-16(12-17-14(2)3)7-10-19-11-8-16/h14-15,17H,4-13H2,1-3H3
InChIKeyIWNFPRDPJBLLNN-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.66
Rot. Bonds6

About N-[[4-[(2-ethylpyrrolidin-1-yl)methyl]oxan-4-yl]methyl]propan-2-amine

N-[[4-[(2-ethylpyrrolidin-1-yl)methyl]oxan-4-yl]methyl]propan-2-amine (PubChem CID 55066617) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is N-[[4-[(2-ethylpyrrolidin-1-yl)methyl]oxan-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-[(2-ethylpyrrolidin-1-yl)methyl]oxan-4-yl]methyl]propan-2-amine
PubChem CID55066617
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC NameN-[[4-[(2-ethylpyrrolidin-1-yl)methyl]oxan-4-yl]methyl]propan-2-amine
SMILESCCC1CCCN1CC1(CNC(C)C)CCOCC1
InChIInChI=1S/C16H32N2O/c1-4-15-6-5-9-18(15)13-16(12-17-14(2)3)7-10-19-11-8-16/h14-15,17H,4-13H2,1-3H3
InChIKeyIWNFPRDPJBLLNN-UHFFFAOYSA-N
XLogP2.66
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2-ethylpyrrolidin-1-yl)methyl]oxan-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[4-[(2-ethylpyrrolidin-1-yl)methyl]oxan-4-yl]methyl]propan-2-amine (CID 55066617) is N-[[4-[(2-ethylpyrrolidin-1-yl)methyl]oxan-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-[(2-ethylpyrrolidin-1-yl)methyl]oxan-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-[(2-ethylpyrrolidin-1-yl)methyl]oxan-4-yl]methyl]propan-2-amine is CCC1CCCN1CC1(CNC(C)C)CCOCC1.
What is the InChIKey of N-[[4-[(2-ethylpyrrolidin-1-yl)methyl]oxan-4-yl]methyl]propan-2-amine?
The InChIKey is IWNFPRDPJBLLNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-4-15-6-5-9-18(15)13-16(12-17-14(2)3)7-10-19-11-8-16/h14-15,17H,4-13H2,1-3H3.
What are the key properties of N-[[4-[(2-ethylpyrrolidin-1-yl)methyl]oxan-4-yl]methyl]propan-2-amine?
N-[[4-[(2-ethylpyrrolidin-1-yl)methyl]oxan-4-yl]methyl]propan-2-amine has a molecular weight of 268.44 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2-ethylpyrrolidin-1-yl)methyl]oxan-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 55066617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).