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

C11H21NO — CID 115741788

IUPACN-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-methylbutan-2-amine
SMILESCC(C)C(C)NCC1=CCCOC1
InChIInChI=1S/C11H21NO/c1-9(2)10(3)12-7-11-5-4-6-13-8-11/h5,9-10,12H,4,6-8H2,1-3H3
InChIKeyIWQNRSLCQJLBBL-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.97
Rot. Bonds4

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

N-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-methylbutan-2-amine (PubChem CID 115741788) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is N-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-methylbutan-2-amine.

Molecular Properties

Compound NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-methylbutan-2-amine
PubChem CID115741788
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-methylbutan-2-amine
SMILESCC(C)C(C)NCC1=CCCOC1
InChIInChI=1S/C11H21NO/c1-9(2)10(3)12-7-11-5-4-6-13-8-11/h5,9-10,12H,4,6-8H2,1-3H3
InChIKeyIWQNRSLCQJLBBL-UHFFFAOYSA-N
XLogP1.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.97
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-methoxypropyl)-3,6-dihydro-2H-pyran-3-amine
CID 170083666
[(5,6-dihydro-2H-pyran-3-yl)methyl](methyl)amine
CID 53399302
5-ethoxy-4-methyl-N-propylpent-3-en-1-amine
CID 79597967
4-methyl-5-propoxy-N-propylpent-3-en-1-amine
CID 79598097
5-ethoxy-N-ethyl-4-methylpent-3-en-1-amine
CID 79598595
N-ethyl-4-methyl-5-propoxypent-3-en-1-amine
CID 79598725
5-methoxy-4-methyl-N-propan-2-ylpent-3-en-1-amine
CID 79599126
4-methyl-N-propan-2-yl-5-propan-2-yloxypent-3-en-1-amine
CID 79599520
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
N-(5-ethoxy-4-methylpent-3-enyl)cyclopropanamine
CID 79606881

Frequently Asked Questions

What is the IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-methylbutan-2-amine?
The IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-methylbutan-2-amine (CID 115741788) is N-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-methylbutan-2-amine.
What is the SMILES notation for N-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-methylbutan-2-amine?
The canonical SMILES for N-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-methylbutan-2-amine is CC(C)C(C)NCC1=CCCOC1.
What is the InChIKey of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-methylbutan-2-amine?
The InChIKey is IWQNRSLCQJLBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-9(2)10(3)12-7-11-5-4-6-13-8-11/h5,9-10,12H,4,6-8H2,1-3H3.
What are the key properties of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-methylbutan-2-amine?
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-methylbutan-2-amine has a molecular weight of 183.29 g/mol, XLogP of 1.97, 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)-3-methylbutan-2-amine is sourced from PubChem (CID 115741788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).