N-(3,6-dihydro-2H-pyran-5-ylmethyl)-5-methylhexan-2-amine

C13H25NO — CID 115741743

IUPACN-(3,6-dihydro-2H-pyran-5-ylmethyl)-5-methylhexan-2-amine
SMILESCC(C)CCC(C)NCC1=CCCOC1
InChIInChI=1S/C13H25NO/c1-11(2)6-7-12(3)14-9-13-5-4-8-15-10-13/h5,11-12,14H,4,6-10H2,1-3H3
InChIKeyYXPIUNOXANIXRM-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.75
Rot. Bonds6

About N-(3,6-dihydro-2H-pyran-5-ylmethyl)-5-methylhexan-2-amine

N-(3,6-dihydro-2H-pyran-5-ylmethyl)-5-methylhexan-2-amine (PubChem CID 115741743) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is N-(3,6-dihydro-2H-pyran-5-ylmethyl)-5-methylhexan-2-amine.

Molecular Properties

Compound NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)-5-methylhexan-2-amine
PubChem CID115741743
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)-5-methylhexan-2-amine
SMILESCC(C)CCC(C)NCC1=CCCOC1
InChIInChI=1S/C13H25NO/c1-11(2)6-7-12(3)14-9-13-5-4-8-15-10-13/h5,11-12,14H,4,6-10H2,1-3H3
InChIKeyYXPIUNOXANIXRM-UHFFFAOYSA-N
XLogP2.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-5-methylhexan-2-amine?
The IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-5-methylhexan-2-amine (CID 115741743) is N-(3,6-dihydro-2H-pyran-5-ylmethyl)-5-methylhexan-2-amine.
What is the SMILES notation for N-(3,6-dihydro-2H-pyran-5-ylmethyl)-5-methylhexan-2-amine?
The canonical SMILES for N-(3,6-dihydro-2H-pyran-5-ylmethyl)-5-methylhexan-2-amine is CC(C)CCC(C)NCC1=CCCOC1.
What is the InChIKey of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-5-methylhexan-2-amine?
The InChIKey is YXPIUNOXANIXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-11(2)6-7-12(3)14-9-13-5-4-8-15-10-13/h5,11-12,14H,4,6-10H2,1-3H3.
What are the key properties of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-5-methylhexan-2-amine?
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-5-methylhexan-2-amine has a molecular weight of 211.35 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,6-dihydro-2H-pyran-5-ylmethyl)-5-methylhexan-2-amine is sourced from PubChem (CID 115741743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).