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

C13H25NO — CID 115741741

IUPACN-(3,6-dihydro-2H-pyran-5-ylmethyl)heptan-2-amine
SMILESCCCCCC(C)NCC1=CCCOC1
InChIInChI=1S/C13H25NO/c1-3-4-5-7-12(2)14-10-13-8-6-9-15-11-13/h8,12,14H,3-7,9-11H2,1-2H3
InChIKeyLNKSCNFFXXVYRK-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.89
Rot. Bonds7

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

N-(3,6-dihydro-2H-pyran-5-ylmethyl)heptan-2-amine (PubChem CID 115741741) 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)heptan-2-amine.

Molecular Properties

Compound NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)heptan-2-amine
PubChem CID115741741
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)heptan-2-amine
SMILESCCCCCC(C)NCC1=CCCOC1
InChIInChI=1S/C13H25NO/c1-3-4-5-7-12(2)14-10-13-8-6-9-15-11-13/h8,12,14H,3-7,9-11H2,1-2H3
InChIKeyLNKSCNFFXXVYRK-UHFFFAOYSA-N
XLogP2.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3,6-dihydro-2H-pyran-5-ylmethyl)-5,5,5-trifluoropentan-1-amine
CID 115757862
(E)-3-ethyl-5-methoxy-N-propan-2-ylhex-3-en-1-amine
CID 156192030
ethane;4-methyl-3,6-dihydro-2H-pyran;2-methylpyrrolidine
CID 166094131
N-Cyclohexyl-4-methyl-3,6-dihydro-2H-pyran-3-amine
CID 13530832
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-4-methylcyclohexan-1-amine
CID 103816300
3-(3,6-dihydro-2H-pyran-5-ylmethylamino)pentanenitrile
CID 104695333
N-[2-(2-methylprop-2-enoxy)ethyl]cyclohex-2-en-1-amine
CID 107908228
N-ethyl-4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-amine
CID 113582032
4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-propan-2-ylpentan-1-amine
CID 113582043
4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-propylpentan-1-amine
CID 113582049
6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]hexan-2-amine
CID 114411047
5-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-propan-2-ylpentan-1-amine
CID 114413459

Frequently Asked Questions

What is the IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)heptan-2-amine?
The IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)heptan-2-amine (CID 115741741) is N-(3,6-dihydro-2H-pyran-5-ylmethyl)heptan-2-amine.
What is the SMILES notation for N-(3,6-dihydro-2H-pyran-5-ylmethyl)heptan-2-amine?
The canonical SMILES for N-(3,6-dihydro-2H-pyran-5-ylmethyl)heptan-2-amine is CCCCCC(C)NCC1=CCCOC1.
What is the InChIKey of N-(3,6-dihydro-2H-pyran-5-ylmethyl)heptan-2-amine?
The InChIKey is LNKSCNFFXXVYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-3-4-5-7-12(2)14-10-13-8-6-9-15-11-13/h8,12,14H,3-7,9-11H2,1-2H3.
What are the key properties of N-(3,6-dihydro-2H-pyran-5-ylmethyl)heptan-2-amine?
N-(3,6-dihydro-2H-pyran-5-ylmethyl)heptan-2-amine has a molecular weight of 211.35 g/mol, XLogP of 2.89, 7 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)heptan-2-amine is sourced from PubChem (CID 115741741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).