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

C11H19NO — CID 62065291

IUPACN-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2-dimethylcyclopropan-1-amine
SMILESCC1(C)CC1NCC1CCC=CO1
InChIInChI=1S/C11H19NO/c1-11(2)7-10(11)12-8-9-5-3-4-6-13-9/h4,6,9-10,12H,3,5,7-8H2,1-2H3
InChIKeyOYQAFXHQWRLZIP-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.07
Rot. Bonds3

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

N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2-dimethylcyclopropan-1-amine (PubChem CID 62065291) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2-dimethylcyclopropan-1-amine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2-dimethylcyclopropan-1-amine
PubChem CID62065291
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2-dimethylcyclopropan-1-amine
SMILESCC1(C)CC1NCC1CCC=CO1
InChIInChI=1S/C11H19NO/c1-11(2)7-10(11)12-8-9-5-3-4-6-13-9/h4,6,9-10,12H,3,5,7-8H2,1-2H3
InChIKeyOYQAFXHQWRLZIP-UHFFFAOYSA-N
XLogP2.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.07
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)-2,2-dimethylcyclopropan-1-amine?
The IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2-dimethylcyclopropan-1-amine (CID 62065291) is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2-dimethylcyclopropan-1-amine.
What is the SMILES notation for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2-dimethylcyclopropan-1-amine?
The canonical SMILES for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2-dimethylcyclopropan-1-amine is CC1(C)CC1NCC1CCC=CO1.
What is the InChIKey of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2-dimethylcyclopropan-1-amine?
The InChIKey is OYQAFXHQWRLZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-11(2)7-10(11)12-8-9-5-3-4-6-13-9/h4,6,9-10,12H,3,5,7-8H2,1-2H3.
What are the key properties of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2-dimethylcyclopropan-1-amine?
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2-dimethylcyclopropan-1-amine has a molecular weight of 181.28 g/mol, XLogP of 2.07, 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)-2,2-dimethylcyclopropan-1-amine is sourced from PubChem (CID 62065291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).