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

C14H25NO — CID 102647311

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(3-methylcyclohexyl)methanamine
SMILESCNC(C1=CCCCO1)C1CCCC(C)C1
InChIInChI=1S/C14H25NO/c1-11-6-5-7-12(10-11)14(15-2)13-8-3-4-9-16-13/h8,11-12,14-15H,3-7,9-10H2,1-2H3
InChIKeyPHZULOXSRMOJMQ-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.10
Rot. Bonds3

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

1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(3-methylcyclohexyl)methanamine (PubChem CID 102647311) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(3-methylcyclohexyl)methanamine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(3-methylcyclohexyl)methanamine
PubChem CID102647311
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(3-methylcyclohexyl)methanamine
SMILESCNC(C1=CCCCO1)C1CCCC(C)C1
InChIInChI=1S/C14H25NO/c1-11-6-5-7-12(10-11)14(15-2)13-8-3-4-9-16-13/h8,11-12,14-15H,3-7,9-10H2,1-2H3
InChIKeyPHZULOXSRMOJMQ-UHFFFAOYSA-N
XLogP3.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(3-methylcyclohexyl)methanamine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(3-methylcyclohexyl)methanamine (CID 102647311) is 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(3-methylcyclohexyl)methanamine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(3-methylcyclohexyl)methanamine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(3-methylcyclohexyl)methanamine is CNC(C1=CCCCO1)C1CCCC(C)C1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(3-methylcyclohexyl)methanamine?
The InChIKey is PHZULOXSRMOJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-11-6-5-7-12(10-11)14(15-2)13-8-3-4-9-16-13/h8,11-12,14-15H,3-7,9-10H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(3-methylcyclohexyl)methanamine?
1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(3-methylcyclohexyl)methanamine has a molecular weight of 223.36 g/mol, XLogP of 3.10, 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-(3-methylcyclohexyl)methanamine is sourced from PubChem (CID 102647311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).