N-(3,4-dihydro-2H-pyran-2-ylmethyl)cyclopropanamine

C9H15NO — CID 62064696

IUPACN-(3,4-dihydro-2H-pyran-2-ylmethyl)cyclopropanamine
SMILESC1=COC(CNC2CC2)CC1
InChIInChI=1S/C9H15NO/c1-2-6-11-9(3-1)7-10-8-4-5-8/h2,6,8-10H,1,3-5,7H2
InChIKeyDSLSEZNCUIQTLP-UHFFFAOYSA-N
MW153.23 g/mol
LogP1.43
Rot. Bonds3

About N-(3,4-dihydro-2H-pyran-2-ylmethyl)cyclopropanamine

N-(3,4-dihydro-2H-pyran-2-ylmethyl)cyclopropanamine (PubChem CID 62064696) has the molecular formula C9H15NO and a molecular weight of 153.23 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-pyran-2-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)cyclopropanamine
PubChem CID62064696
Molecular FormulaC9H15NO
Molecular Weight153.23 g/mol
Exact Mass153.12
IUPAC NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)cyclopropanamine
SMILESC1=COC(CNC2CC2)CC1
InChIInChI=1S/C9H15NO/c1-2-6-11-9(3-1)7-10-8-4-5-8/h2,6,8-10H,1,3-5,7H2
InChIKeyDSLSEZNCUIQTLP-UHFFFAOYSA-N
XLogP1.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)cyclopropanamine?
The IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)cyclopropanamine (CID 62064696) is N-(3,4-dihydro-2H-pyran-2-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-(3,4-dihydro-2H-pyran-2-ylmethyl)cyclopropanamine?
The canonical SMILES for N-(3,4-dihydro-2H-pyran-2-ylmethyl)cyclopropanamine is C1=COC(CNC2CC2)CC1.
What is the InChIKey of N-(3,4-dihydro-2H-pyran-2-ylmethyl)cyclopropanamine?
The InChIKey is DSLSEZNCUIQTLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-2-6-11-9(3-1)7-10-8-4-5-8/h2,6,8-10H,1,3-5,7H2.
What are the key properties of N-(3,4-dihydro-2H-pyran-2-ylmethyl)cyclopropanamine?
N-(3,4-dihydro-2H-pyran-2-ylmethyl)cyclopropanamine has a molecular weight of 153.23 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-pyran-2-ylmethyl)cyclopropanamine is sourced from PubChem (CID 62064696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).