1-(1-cyclopropylpyrrolidin-3-yl)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)methanamine

C14H24N2O — CID 62064411

IUPAC1-(1-cyclopropylpyrrolidin-3-yl)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)methanamine
SMILESC1=COC(CNCC2CCN(C3CC3)C2)CC1
InChIInChI=1S/C14H24N2O/c1-2-8-17-14(3-1)10-15-9-12-6-7-16(11-12)13-4-5-13/h2,8,12-15H,1,3-7,9-11H2
InChIKeyIZELUJRURDIXCP-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.75
Rot. Bonds5

About 1-(1-cyclopropylpyrrolidin-3-yl)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)methanamine

1-(1-cyclopropylpyrrolidin-3-yl)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)methanamine (PubChem CID 62064411) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-(1-cyclopropylpyrrolidin-3-yl)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(1-cyclopropylpyrrolidin-3-yl)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)methanamine
PubChem CID62064411
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-(1-cyclopropylpyrrolidin-3-yl)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)methanamine
SMILESC1=COC(CNCC2CCN(C3CC3)C2)CC1
InChIInChI=1S/C14H24N2O/c1-2-8-17-14(3-1)10-15-9-12-6-7-16(11-12)13-4-5-13/h2,8,12-15H,1,3-7,9-11H2
InChIKeyIZELUJRURDIXCP-UHFFFAOYSA-N
XLogP1.75
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylpyrrolidin-3-yl)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)methanamine?
The IUPAC name of 1-(1-cyclopropylpyrrolidin-3-yl)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)methanamine (CID 62064411) is 1-(1-cyclopropylpyrrolidin-3-yl)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(1-cyclopropylpyrrolidin-3-yl)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)methanamine?
The canonical SMILES for 1-(1-cyclopropylpyrrolidin-3-yl)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)methanamine is C1=COC(CNCC2CCN(C3CC3)C2)CC1.
What is the InChIKey of 1-(1-cyclopropylpyrrolidin-3-yl)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)methanamine?
The InChIKey is IZELUJRURDIXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-2-8-17-14(3-1)10-15-9-12-6-7-16(11-12)13-4-5-13/h2,8,12-15H,1,3-7,9-11H2.
What are the key properties of 1-(1-cyclopropylpyrrolidin-3-yl)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)methanamine?
1-(1-cyclopropylpyrrolidin-3-yl)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)methanamine has a molecular weight of 236.36 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylpyrrolidin-3-yl)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)methanamine is sourced from PubChem (CID 62064411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).