1-(3,5-dimethylcyclohexyl)-N-methyl-2-propoxyethanamine

C14H29NO — CID 64728708

IUPAC1-(3,5-dimethylcyclohexyl)-N-methyl-2-propoxyethanamine
SMILESCCCOCC(NC)C1CC(C)CC(C)C1
InChIInChI=1S/C14H29NO/c1-5-6-16-10-14(15-4)13-8-11(2)7-12(3)9-13/h11-15H,5-10H2,1-4H3
InChIKeySJYCDCYVLBBMPJ-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.07
Rot. Bonds6

About 1-(3,5-dimethylcyclohexyl)-N-methyl-2-propoxyethanamine

1-(3,5-dimethylcyclohexyl)-N-methyl-2-propoxyethanamine (PubChem CID 64728708) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 1-(3,5-dimethylcyclohexyl)-N-methyl-2-propoxyethanamine.

Molecular Properties

Compound Name1-(3,5-dimethylcyclohexyl)-N-methyl-2-propoxyethanamine
PubChem CID64728708
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name1-(3,5-dimethylcyclohexyl)-N-methyl-2-propoxyethanamine
SMILESCCCOCC(NC)C1CC(C)CC(C)C1
InChIInChI=1S/C14H29NO/c1-5-6-16-10-14(15-4)13-8-11(2)7-12(3)9-13/h11-15H,5-10H2,1-4H3
InChIKeySJYCDCYVLBBMPJ-UHFFFAOYSA-N
XLogP3.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.07
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 1-(3,5-dimethylcyclohexyl)-N-methyl-2-propoxyethanamine?
The IUPAC name of 1-(3,5-dimethylcyclohexyl)-N-methyl-2-propoxyethanamine (CID 64728708) is 1-(3,5-dimethylcyclohexyl)-N-methyl-2-propoxyethanamine.
What is the SMILES notation for 1-(3,5-dimethylcyclohexyl)-N-methyl-2-propoxyethanamine?
The canonical SMILES for 1-(3,5-dimethylcyclohexyl)-N-methyl-2-propoxyethanamine is CCCOCC(NC)C1CC(C)CC(C)C1.
What is the InChIKey of 1-(3,5-dimethylcyclohexyl)-N-methyl-2-propoxyethanamine?
The InChIKey is SJYCDCYVLBBMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-5-6-16-10-14(15-4)13-8-11(2)7-12(3)9-13/h11-15H,5-10H2,1-4H3.
What are the key properties of 1-(3,5-dimethylcyclohexyl)-N-methyl-2-propoxyethanamine?
1-(3,5-dimethylcyclohexyl)-N-methyl-2-propoxyethanamine has a molecular weight of 227.39 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylcyclohexyl)-N-methyl-2-propoxyethanamine is sourced from PubChem (CID 64728708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).