1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(1-methylcyclopropyl)methanamine

C11H19NO — CID 102647874

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(1-methylcyclopropyl)methanamine
SMILESCNC(C1=CCCCO1)C1(C)CC1
InChIInChI=1S/C11H19NO/c1-11(6-7-11)10(12-2)9-5-3-4-8-13-9/h5,10,12H,3-4,6-8H2,1-2H3
InChIKeyZKOLYIYARBJCOC-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.07
Rot. Bonds3

About 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(1-methylcyclopropyl)methanamine

1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(1-methylcyclopropyl)methanamine (PubChem CID 102647874) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(1-methylcyclopropyl)methanamine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(1-methylcyclopropyl)methanamine
PubChem CID102647874
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(1-methylcyclopropyl)methanamine
SMILESCNC(C1=CCCCO1)C1(C)CC1
InChIInChI=1S/C11H19NO/c1-11(6-7-11)10(12-2)9-5-3-4-8-13-9/h5,10,12H,3-4,6-8H2,1-2H3
InChIKeyZKOLYIYARBJCOC-UHFFFAOYSA-N
XLogP2.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dihydro-2H-pyran-6-yl-(2-fluoro-1-methylcyclopropyl)methanamine
CID 131015027
1-(3,4-dihydro-2H-pyran-6-yl)-N,3-dimethylbutan-1-amine
CID 102647186
1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-3-methylbutan-1-amine
CID 102647187
1-(3,4-dihydro-2H-pyran-6-yl)-3-methyl-N-propylbutan-1-amine
CID 102647188
1-(3,4-dihydro-2H-pyran-6-yl)-N-methylbutan-1-amine
CID 102647216
1-(3,4-dihydro-2H-pyran-6-yl)-N-ethylbutan-1-amine
CID 102647217
1-(3,4-dihydro-2H-pyran-6-yl)-N-propylbutan-1-amine
CID 102647218
1-cyclopropyl-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylmethanamine
CID 102647219
N-[cyclopropyl(3,4-dihydro-2H-pyran-6-yl)methyl]ethanamine
CID 102647220
N-[cyclopropyl(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine
CID 102647221
1-(3,4-dihydro-2H-pyran-6-yl)-N,2,2-trimethylpropan-1-amine
CID 102647224
1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-2,2-dimethylpropan-1-amine
CID 102647225

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(1-methylcyclopropyl)methanamine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(1-methylcyclopropyl)methanamine (CID 102647874) is 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(1-methylcyclopropyl)methanamine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(1-methylcyclopropyl)methanamine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(1-methylcyclopropyl)methanamine is CNC(C1=CCCCO1)C1(C)CC1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(1-methylcyclopropyl)methanamine?
The InChIKey is ZKOLYIYARBJCOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-11(6-7-11)10(12-2)9-5-3-4-8-13-9/h5,10,12H,3-4,6-8H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(1-methylcyclopropyl)methanamine?
1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(1-methylcyclopropyl)methanamine has a molecular weight of 181.28 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(1-methylcyclopropyl)methanamine is sourced from PubChem (CID 102647874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).