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

C17H26N2O — CID 50961692

IUPACN-[(1-benzylpyrrolidin-3-yl)methyl]oxan-4-amine
SMILESc1ccc(CN2CCC(CNC3CCOCC3)C2)cc1
InChIInChI=1S/C17H26N2O/c1-2-4-15(5-3-1)13-19-9-6-16(14-19)12-18-17-7-10-20-11-8-17/h1-5,16-18H,6-14H2
InChIKeyGRIPPXAEOIPCSJ-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.28
Rot. Bonds5

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

N-[(1-benzylpyrrolidin-3-yl)methyl]oxan-4-amine (PubChem CID 50961692) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[(1-benzylpyrrolidin-3-yl)methyl]oxan-4-amine.

Molecular Properties

Compound NameN-[(1-benzylpyrrolidin-3-yl)methyl]oxan-4-amine
PubChem CID50961692
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-[(1-benzylpyrrolidin-3-yl)methyl]oxan-4-amine
SMILESc1ccc(CN2CCC(CNC3CCOCC3)C2)cc1
InChIInChI=1S/C17H26N2O/c1-2-4-15(5-3-1)13-19-9-6-16(14-19)12-18-17-7-10-20-11-8-17/h1-5,16-18H,6-14H2
InChIKeyGRIPPXAEOIPCSJ-UHFFFAOYSA-N
XLogP2.28
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(azetidin-1-yl)-N-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]-4-methylcyclohexan-1-amine
CID 171359275
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N-[[(3R)-1-benzylpiperidin-3-yl]methyl]thian-4-amine
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1-benzyl-N-(cyclobutylmethyl)pyrrolidin-3-amine
CID 43298230
N-[(1-ethylpyrrolidin-3-yl)methyl]oxan-4-amine
CID 60855683
1-benzyl-N-(1,3-dioxolan-2-ylmethyl)piperidin-4-amine
CID 69192482
1-benzyl-N-(cyclopropylmethyl)azepan-3-amine
CID 83488648
N-[(1-benzylpyrrolidin-3-yl)methyl]propan-1-amine
CID 14280885
N-(1-benzylpyrrolidin-3-yl)morpholin-4-amine
CID 83009614
1-benzyl-N-[(4-methyloxan-4-yl)methyl]pyrrolidin-3-amine
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(3R)-1-benzyl-3-(bromomethyl)pyrrolidine
CID 96555493
1-benzyl-3-ethylpyrrolidine
CID 12648208

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpyrrolidin-3-yl)methyl]oxan-4-amine?
The IUPAC name of N-[(1-benzylpyrrolidin-3-yl)methyl]oxan-4-amine (CID 50961692) is N-[(1-benzylpyrrolidin-3-yl)methyl]oxan-4-amine.
What is the SMILES notation for N-[(1-benzylpyrrolidin-3-yl)methyl]oxan-4-amine?
The canonical SMILES for N-[(1-benzylpyrrolidin-3-yl)methyl]oxan-4-amine is c1ccc(CN2CCC(CNC3CCOCC3)C2)cc1.
What is the InChIKey of N-[(1-benzylpyrrolidin-3-yl)methyl]oxan-4-amine?
The InChIKey is GRIPPXAEOIPCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-2-4-15(5-3-1)13-19-9-6-16(14-19)12-18-17-7-10-20-11-8-17/h1-5,16-18H,6-14H2.
What are the key properties of N-[(1-benzylpyrrolidin-3-yl)methyl]oxan-4-amine?
N-[(1-benzylpyrrolidin-3-yl)methyl]oxan-4-amine has a molecular weight of 274.41 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpyrrolidin-3-yl)methyl]oxan-4-amine is sourced from PubChem (CID 50961692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).