N-(3,6-dihydro-2H-pyran-5-ylmethyl)-4-methylhexan-2-amine

C13H25NO — CID 115742202

IUPACN-(3,6-dihydro-2H-pyran-5-ylmethyl)-4-methylhexan-2-amine
SMILESCCC(C)CC(C)NCC1=CCCOC1
InChIInChI=1S/C13H25NO/c1-4-11(2)8-12(3)14-9-13-6-5-7-15-10-13/h6,11-12,14H,4-5,7-10H2,1-3H3
InChIKeyIWDSMVGBFCCAJF-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.75
Rot. Bonds6

About N-(3,6-dihydro-2H-pyran-5-ylmethyl)-4-methylhexan-2-amine

N-(3,6-dihydro-2H-pyran-5-ylmethyl)-4-methylhexan-2-amine (PubChem CID 115742202) 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)-4-methylhexan-2-amine.

Molecular Properties

Compound NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)-4-methylhexan-2-amine
PubChem CID115742202
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)-4-methylhexan-2-amine
SMILESCCC(C)CC(C)NCC1=CCCOC1
InChIInChI=1S/C13H25NO/c1-4-11(2)8-12(3)14-9-13-6-5-7-15-10-13/h6,11-12,14H,4-5,7-10H2,1-3H3
InChIKeyIWDSMVGBFCCAJF-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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Related Compounds

3-[(1R)-3-(methoxymethyl)cyclohex-3-en-1-yl]-N-propan-2-ylpropan-1-amine
CID 68340934
(7R)-4,7-dimethyl-1-oxa-8-azaspiro[4.5]dec-3-ene
CID 172575137
4,7-Dimethyl-1-oxa-8-azaspiro[4.5]dec-3-ene
CID 177956180
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-4-methylcyclohexan-1-amine
CID 103816300
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-3,4-dimethylcyclohexan-1-amine
CID 104588469
4-(methoxymethyl)-1-[(2-methylpiperidin-4-yl)methyl]-3,6-dihydro-2H-pyridine
CID 106741220
2-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]-N-propan-2-ylprop-2-en-1-amine
CID 113772053
4-(2-Ethylhexoxymethyl)-1,2,3,6-tetrahydropyridine
CID 114404541
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-methylcyclohexan-1-amine
CID 115674331
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2,4,4-trimethylpentan-2-amine
CID 115674379
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1,4-dimethylcyclohexan-1-amine
CID 115674415
N-(3,6-dihydro-2H-pyran-5-ylmethyl)octan-2-amine
CID 115741719

Frequently Asked Questions

What is the IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-4-methylhexan-2-amine?
The IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-4-methylhexan-2-amine (CID 115742202) is N-(3,6-dihydro-2H-pyran-5-ylmethyl)-4-methylhexan-2-amine.
What is the SMILES notation for N-(3,6-dihydro-2H-pyran-5-ylmethyl)-4-methylhexan-2-amine?
The canonical SMILES for N-(3,6-dihydro-2H-pyran-5-ylmethyl)-4-methylhexan-2-amine is CCC(C)CC(C)NCC1=CCCOC1.
What is the InChIKey of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-4-methylhexan-2-amine?
The InChIKey is IWDSMVGBFCCAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-4-11(2)8-12(3)14-9-13-6-5-7-15-10-13/h6,11-12,14H,4-5,7-10H2,1-3H3.
What are the key properties of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-4-methylhexan-2-amine?
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-4-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)-4-methylhexan-2-amine is sourced from PubChem (CID 115742202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).