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

C12H23NO — CID 115741998

IUPACN-(3,6-dihydro-2H-pyran-5-ylmethyl)hexan-3-amine
SMILESCCCC(CC)NCC1=CCCOC1
InChIInChI=1S/C12H23NO/c1-3-6-12(4-2)13-9-11-7-5-8-14-10-11/h7,12-13H,3-6,8-10H2,1-2H3
InChIKeyYKHHPUHMVWWQJD-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.50
Rot. Bonds6

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

N-(3,6-dihydro-2H-pyran-5-ylmethyl)hexan-3-amine (PubChem CID 115741998) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is N-(3,6-dihydro-2H-pyran-5-ylmethyl)hexan-3-amine.

Molecular Properties

Compound NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)hexan-3-amine
PubChem CID115741998
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)hexan-3-amine
SMILESCCCC(CC)NCC1=CCCOC1
InChIInChI=1S/C12H23NO/c1-3-6-12(4-2)13-9-11-7-5-8-14-10-11/h7,12-13H,3-6,8-10H2,1-2H3
InChIKeyYKHHPUHMVWWQJD-UHFFFAOYSA-N
XLogP2.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.50
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-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-fluoropropan-1-amine
CID 115742343
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
4-(Ethoxymethyl)-1,2,3,6-tetrahydropyridin-1-ium
CID 163465648
ethane;4-methyl-3,6-dihydro-2H-pyran;2-methylpyrrolidine
CID 166094131
(2S,3S)-N,4-diethyl-2-methyl-3,6-dihydro-2H-pyran-3-amine;ethane
CID 177009350
N-Cyclohexyl-4-methyl-3,6-dihydro-2H-pyran-3-amine
CID 13530832
5-methoxy-4-methyl-N-propan-2-ylpent-3-en-1-amine
CID 79599126
5-ethoxy-4-methyl-N-propan-2-ylpent-3-en-1-amine
CID 79599523
4-methyl-N-propan-2-yl-5-propoxypent-3-en-1-amine
CID 79599526
5-(Ethoxymethyl)-1,2,3,6-tetrahydropyridine
CID 84716252
5-(Propan-2-yloxymethyl)-1,2,3,6-tetrahydropyridine
CID 84716601

Frequently Asked Questions

What is the IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)hexan-3-amine?
The IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)hexan-3-amine (CID 115741998) is N-(3,6-dihydro-2H-pyran-5-ylmethyl)hexan-3-amine.
What is the SMILES notation for N-(3,6-dihydro-2H-pyran-5-ylmethyl)hexan-3-amine?
The canonical SMILES for N-(3,6-dihydro-2H-pyran-5-ylmethyl)hexan-3-amine is CCCC(CC)NCC1=CCCOC1.
What is the InChIKey of N-(3,6-dihydro-2H-pyran-5-ylmethyl)hexan-3-amine?
The InChIKey is YKHHPUHMVWWQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-3-6-12(4-2)13-9-11-7-5-8-14-10-11/h7,12-13H,3-6,8-10H2,1-2H3.
What are the key properties of N-(3,6-dihydro-2H-pyran-5-ylmethyl)hexan-3-amine?
N-(3,6-dihydro-2H-pyran-5-ylmethyl)hexan-3-amine has a molecular weight of 197.32 g/mol, XLogP of 2.50, 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)hexan-3-amine is sourced from PubChem (CID 115741998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).