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

C14H27NO — CID 115674379

IUPACN-(3,6-dihydro-2H-pyran-5-ylmethyl)-2,4,4-trimethylpentan-2-amine
SMILESCC(C)(C)CC(C)(C)NCC1=CCCOC1
InChIInChI=1S/C14H27NO/c1-13(2,3)11-14(4,5)15-9-12-7-6-8-16-10-12/h7,15H,6,8-11H2,1-5H3
InChIKeyVXJFVCKAAMUXFW-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.14
Rot. Bonds4

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

N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2,4,4-trimethylpentan-2-amine (PubChem CID 115674379) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2,4,4-trimethylpentan-2-amine.

Molecular Properties

Compound NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)-2,4,4-trimethylpentan-2-amine
PubChem CID115674379
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)-2,4,4-trimethylpentan-2-amine
SMILESCC(C)(C)CC(C)(C)NCC1=CCCOC1
InChIInChI=1S/C14H27NO/c1-13(2,3)11-14(4,5)15-9-12-7-6-8-16-10-12/h7,15H,6,8-11H2,1-5H3
InChIKeyVXJFVCKAAMUXFW-UHFFFAOYSA-N
XLogP3.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.14
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

N-[2-(3,6-dihydro-2H-pyran-5-yl)ethyl]-3,3-dimethylbutan-1-amine;molecular hydrogen
CID 143543963
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-4-methoxy-2,2-dimethylbutan-1-amine
CID 104624980
4-(3,3-Dimethylbutoxymethyl)-1,2,3,6-tetrahydropyridine
CID 114404622
N-(3,6-dihydro-2H-pyran-5-ylmethyl)propan-1-amine
CID 115674325
N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine
CID 115674359
N-(3,6-dihydro-2H-pyran-5-ylmethyl)pentan-2-amine
CID 115741720
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-ethoxypropan-1-amine
CID 115741724
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-6-methylheptan-2-amine
CID 115741730
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-methylpropan-1-amine
CID 115741733
N-(3,6-dihydro-2H-pyran-5-ylmethyl)butan-1-amine
CID 115741734
N-(3,6-dihydro-2H-pyran-5-ylmethyl)pentan-3-amine
CID 115741739
N-(3,6-dihydro-2H-pyran-5-ylmethyl)heptan-2-amine
CID 115741741

Frequently Asked Questions

What is the IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2,4,4-trimethylpentan-2-amine?
The IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2,4,4-trimethylpentan-2-amine (CID 115674379) is N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2,4,4-trimethylpentan-2-amine.
What is the SMILES notation for N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2,4,4-trimethylpentan-2-amine?
The canonical SMILES for N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2,4,4-trimethylpentan-2-amine is CC(C)(C)CC(C)(C)NCC1=CCCOC1.
What is the InChIKey of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2,4,4-trimethylpentan-2-amine?
The InChIKey is VXJFVCKAAMUXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-13(2,3)11-14(4,5)15-9-12-7-6-8-16-10-12/h7,15H,6,8-11H2,1-5H3.
What are the key properties of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2,4,4-trimethylpentan-2-amine?
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2,4,4-trimethylpentan-2-amine has a molecular weight of 225.38 g/mol, XLogP of 3.14, 4 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)-2,4,4-trimethylpentan-2-amine is sourced from PubChem (CID 115674379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).