N-methyl-1-(1-methylcyclohexyl)-2-propoxyethanamine

C13H27NO — CID 106830336

IUPACN-methyl-1-(1-methylcyclohexyl)-2-propoxyethanamine
SMILESCCCOCC(NC)C1(C)CCCCC1
InChIInChI=1S/C13H27NO/c1-4-10-15-11-12(14-3)13(2)8-6-5-7-9-13/h12,14H,4-11H2,1-3H3
InChIKeyZSPXBCCHGOJEBZ-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.97
Rot. Bonds6

About N-methyl-1-(1-methylcyclohexyl)-2-propoxyethanamine

N-methyl-1-(1-methylcyclohexyl)-2-propoxyethanamine (PubChem CID 106830336) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is N-methyl-1-(1-methylcyclohexyl)-2-propoxyethanamine.

Molecular Properties

Compound NameN-methyl-1-(1-methylcyclohexyl)-2-propoxyethanamine
PubChem CID106830336
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC NameN-methyl-1-(1-methylcyclohexyl)-2-propoxyethanamine
SMILESCCCOCC(NC)C1(C)CCCCC1
InChIInChI=1S/C13H27NO/c1-4-10-15-11-12(14-3)13(2)8-6-5-7-9-13/h12,14H,4-11H2,1-3H3
InChIKeyZSPXBCCHGOJEBZ-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-methylcyclohexyl)-2-propoxyethanamine?
The IUPAC name of N-methyl-1-(1-methylcyclohexyl)-2-propoxyethanamine (CID 106830336) is N-methyl-1-(1-methylcyclohexyl)-2-propoxyethanamine.
What is the SMILES notation for N-methyl-1-(1-methylcyclohexyl)-2-propoxyethanamine?
The canonical SMILES for N-methyl-1-(1-methylcyclohexyl)-2-propoxyethanamine is CCCOCC(NC)C1(C)CCCCC1.
What is the InChIKey of N-methyl-1-(1-methylcyclohexyl)-2-propoxyethanamine?
The InChIKey is ZSPXBCCHGOJEBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-4-10-15-11-12(14-3)13(2)8-6-5-7-9-13/h12,14H,4-11H2,1-3H3.
What are the key properties of N-methyl-1-(1-methylcyclohexyl)-2-propoxyethanamine?
N-methyl-1-(1-methylcyclohexyl)-2-propoxyethanamine has a molecular weight of 213.36 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-methylcyclohexyl)-2-propoxyethanamine is sourced from PubChem (CID 106830336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).