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

C10H19NO — CID 62065593

IUPACN-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-methylpropan-1-amine
SMILESCC(C)CNCC1CCC=CO1
InChIInChI=1S/C10H19NO/c1-9(2)7-11-8-10-5-3-4-6-12-10/h4,6,9-11H,3,5,7-8H2,1-2H3
InChIKeyUIXCWRZQHGOSFN-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.92
Rot. Bonds4

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

N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-methylpropan-1-amine (PubChem CID 62065593) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-methylpropan-1-amine
PubChem CID62065593
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-methylpropan-1-amine
SMILESCC(C)CNCC1CCC=CO1
InChIInChI=1S/C10H19NO/c1-9(2)7-11-8-10-5-3-4-6-12-10/h4,6,9-11H,3,5,7-8H2,1-2H3
InChIKeyUIXCWRZQHGOSFN-UHFFFAOYSA-N
XLogP1.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.92
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-methylpropan-1-amine?
The IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-methylpropan-1-amine (CID 62065593) is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-methylpropan-1-amine.
What is the SMILES notation for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-methylpropan-1-amine?
The canonical SMILES for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-methylpropan-1-amine is CC(C)CNCC1CCC=CO1.
What is the InChIKey of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-methylpropan-1-amine?
The InChIKey is UIXCWRZQHGOSFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-9(2)7-11-8-10-5-3-4-6-12-10/h4,6,9-11H,3,5,7-8H2,1-2H3.
What are the key properties of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-methylpropan-1-amine?
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-methylpropan-1-amine has a molecular weight of 169.27 g/mol, XLogP of 1.92, 4 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-methylpropan-1-amine is sourced from PubChem (CID 62065593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).