1-benzyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)pyrrolidin-3-amine

C17H24N2O — CID 62065627

IUPAC1-benzyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)pyrrolidin-3-amine
SMILESC1=COC(CNC2CCN(Cc3ccccc3)C2)CC1
InChIInChI=1S/C17H24N2O/c1-2-6-15(7-3-1)13-19-10-9-16(14-19)18-12-17-8-4-5-11-20-17/h1-3,5-7,11,16-18H,4,8-10,12-14H2
InChIKeyREUVBXIRQWZXOK-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.54
Rot. Bonds5

About 1-benzyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)pyrrolidin-3-amine

1-benzyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)pyrrolidin-3-amine (PubChem CID 62065627) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 1-benzyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-benzyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)pyrrolidin-3-amine
PubChem CID62065627
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name1-benzyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)pyrrolidin-3-amine
SMILESC1=COC(CNC2CCN(Cc3ccccc3)C2)CC1
InChIInChI=1S/C17H24N2O/c1-2-6-15(7-3-1)13-19-10-9-16(14-19)18-12-17-8-4-5-11-20-17/h1-3,5-7,11,16-18H,4,8-10,12-14H2
InChIKeyREUVBXIRQWZXOK-UHFFFAOYSA-N
XLogP2.54
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 43298230
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CID 95972215
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1-benzyl-N-(cyclohex-3-en-1-ylmethyl)piperidin-4-amine
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CID 69192482
N-[(1-benzylpyrrolidin-3-yl)methyl]oxan-4-amine
CID 50961692
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1-benzyl-N-(2,6-dichlorophenyl)pyrrolidin-3-amine
CID 65469717
N'-[(3S)-1-benzylpyrrolidin-3-yl]propane-1,3-diamine
CID 54251680
1-benzyl-N-(thiophen-3-ylmethyl)pyrrolidin-3-amine
CID 43223638
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CID 115690185

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)pyrrolidin-3-amine?
The IUPAC name of 1-benzyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)pyrrolidin-3-amine (CID 62065627) is 1-benzyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)pyrrolidin-3-amine.
What is the SMILES notation for 1-benzyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)pyrrolidin-3-amine?
The canonical SMILES for 1-benzyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)pyrrolidin-3-amine is C1=COC(CNC2CCN(Cc3ccccc3)C2)CC1.
What is the InChIKey of 1-benzyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)pyrrolidin-3-amine?
The InChIKey is REUVBXIRQWZXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-2-6-15(7-3-1)13-19-10-9-16(14-19)18-12-17-8-4-5-11-20-17/h1-3,5-7,11,16-18H,4,8-10,12-14H2.
What are the key properties of 1-benzyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)pyrrolidin-3-amine?
1-benzyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)pyrrolidin-3-amine has a molecular weight of 272.39 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)pyrrolidin-3-amine is sourced from PubChem (CID 62065627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).