2-octoxy-N-propylcycloheptan-1-amine

C18H37NO — CID 63473942

IUPAC2-octoxy-N-propylcycloheptan-1-amine
SMILESCCCCCCCCOC1CCCCCC1NCCC
InChIInChI=1S/C18H37NO/c1-3-5-6-7-8-12-16-20-18-14-11-9-10-13-17(18)19-15-4-2/h17-19H,3-16H2,1-2H3
InChIKeyMXQRRJMHTKEHID-UHFFFAOYSA-N
MW283.50 g/mol
LogP5.06
Rot. Bonds11

About 2-octoxy-N-propylcycloheptan-1-amine

2-octoxy-N-propylcycloheptan-1-amine (PubChem CID 63473942) has the molecular formula C18H37NO and a molecular weight of 283.50 g/mol. Its IUPAC name is 2-octoxy-N-propylcycloheptan-1-amine.

Molecular Properties

Compound Name2-octoxy-N-propylcycloheptan-1-amine
PubChem CID63473942
Molecular FormulaC18H37NO
Molecular Weight283.50 g/mol
Exact Mass283.29
IUPAC Name2-octoxy-N-propylcycloheptan-1-amine
SMILESCCCCCCCCOC1CCCCCC1NCCC
InChIInChI=1S/C18H37NO/c1-3-5-6-7-8-12-16-20-18-14-11-9-10-13-17(18)19-15-4-2/h17-19H,3-16H2,1-2H3
InChIKeyMXQRRJMHTKEHID-UHFFFAOYSA-N
XLogP5.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.50
LogP ≤ 55.06
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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Related Compounds

2-octoxy-N-propylcyclooctan-1-amine
CID 63476166
N-ethyl-2-hexoxycycloheptan-1-amine
CID 55135932
N-ethyl-2-octoxycycloheptan-1-amine
CID 63473760
2-propoxy-N-propylcyclododecan-1-amine
CID 63500356
2-(2-propoxyethoxy)-N-propylcycloheptan-1-amine
CID 55233054
2-[3-(2-methoxyethoxy)propoxy]-N-propylcyclohexan-1-amine
CID 103401822
4-tert-butyl-2-hexoxy-N-propylcyclohexan-1-amine
CID 63474740
3-octoxy-2-propoxy-N-propylcyclobutan-1-amine
CID 107943487
2-ethoxy-3-heptoxy-N-propylcyclobutan-1-amine
CID 104676257
2-hexoxycyclododecan-1-amine
CID 43127854
2-[(2-methylpropan-2-yl)oxy]-N-propylcyclododecan-1-amine
CID 63475623
N-(3-cyclohexyloxypropyl)-2-methoxycyclohexan-1-amine
CID 43770852

Frequently Asked Questions

What is the IUPAC name of 2-octoxy-N-propylcycloheptan-1-amine?
The IUPAC name of 2-octoxy-N-propylcycloheptan-1-amine (CID 63473942) is 2-octoxy-N-propylcycloheptan-1-amine.
What is the SMILES notation for 2-octoxy-N-propylcycloheptan-1-amine?
The canonical SMILES for 2-octoxy-N-propylcycloheptan-1-amine is CCCCCCCCOC1CCCCCC1NCCC.
What is the InChIKey of 2-octoxy-N-propylcycloheptan-1-amine?
The InChIKey is MXQRRJMHTKEHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO/c1-3-5-6-7-8-12-16-20-18-14-11-9-10-13-17(18)19-15-4-2/h17-19H,3-16H2,1-2H3.
What are the key properties of 2-octoxy-N-propylcycloheptan-1-amine?
2-octoxy-N-propylcycloheptan-1-amine has a molecular weight of 283.50 g/mol, XLogP of 5.06, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-octoxy-N-propylcycloheptan-1-amine is sourced from PubChem (CID 63473942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).