4-cyclopropyl-3-(1,5-dimethylcyclooct-2-en-1-yl)-3-ethoxy-N-methylpentan-1-amine

C21H39NO — CID 123352426

IUPAC4-cyclopropyl-3-(1,5-dimethylcyclooct-2-en-1-yl)-3-ethoxy-N-methylpentan-1-amine
SMILESCCOC(CCNC)(C(C)C1CC1)C1(C)C=CCC(C)CCC1
InChIInChI=1S/C21H39NO/c1-6-23-21(15-16-22-5,18(3)19-11-12-19)20(4)13-7-9-17(2)10-8-14-20/h7,13,17-19,22H,6,8-12,14-16H2,1-5H3
InChIKeyOLFMDPNOMGAMEN-UHFFFAOYSA-N
MW321.55 g/mol
LogP5.19
Rot. Bonds8

About 4-cyclopropyl-3-(1,5-dimethylcyclooct-2-en-1-yl)-3-ethoxy-N-methylpentan-1-amine

4-cyclopropyl-3-(1,5-dimethylcyclooct-2-en-1-yl)-3-ethoxy-N-methylpentan-1-amine (PubChem CID 123352426) has the molecular formula C21H39NO and a molecular weight of 321.55 g/mol. Its IUPAC name is 4-cyclopropyl-3-(1,5-dimethylcyclooct-2-en-1-yl)-3-ethoxy-N-methylpentan-1-amine.

Molecular Properties

Compound Name4-cyclopropyl-3-(1,5-dimethylcyclooct-2-en-1-yl)-3-ethoxy-N-methylpentan-1-amine
PubChem CID123352426
Molecular FormulaC21H39NO
Molecular Weight321.55 g/mol
Exact Mass321.30
IUPAC Name4-cyclopropyl-3-(1,5-dimethylcyclooct-2-en-1-yl)-3-ethoxy-N-methylpentan-1-amine
SMILESCCOC(CCNC)(C(C)C1CC1)C1(C)C=CCC(C)CCC1
InChIInChI=1S/C21H39NO/c1-6-23-21(15-16-22-5,18(3)19-11-12-19)20(4)13-7-9-17(2)10-8-14-20/h7,13,17-19,22H,6,8-12,14-16H2,1-5H3
InChIKeyOLFMDPNOMGAMEN-UHFFFAOYSA-N
XLogP5.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.55
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-3-(1,5-dimethylcyclooct-2-en-1-yl)-3-ethoxy-N-methylpentan-1-amine?
The IUPAC name of 4-cyclopropyl-3-(1,5-dimethylcyclooct-2-en-1-yl)-3-ethoxy-N-methylpentan-1-amine (CID 123352426) is 4-cyclopropyl-3-(1,5-dimethylcyclooct-2-en-1-yl)-3-ethoxy-N-methylpentan-1-amine.
What is the SMILES notation for 4-cyclopropyl-3-(1,5-dimethylcyclooct-2-en-1-yl)-3-ethoxy-N-methylpentan-1-amine?
The canonical SMILES for 4-cyclopropyl-3-(1,5-dimethylcyclooct-2-en-1-yl)-3-ethoxy-N-methylpentan-1-amine is CCOC(CCNC)(C(C)C1CC1)C1(C)C=CCC(C)CCC1.
What is the InChIKey of 4-cyclopropyl-3-(1,5-dimethylcyclooct-2-en-1-yl)-3-ethoxy-N-methylpentan-1-amine?
The InChIKey is OLFMDPNOMGAMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H39NO/c1-6-23-21(15-16-22-5,18(3)19-11-12-19)20(4)13-7-9-17(2)10-8-14-20/h7,13,17-19,22H,6,8-12,14-16H2,1-5H3.
What are the key properties of 4-cyclopropyl-3-(1,5-dimethylcyclooct-2-en-1-yl)-3-ethoxy-N-methylpentan-1-amine?
4-cyclopropyl-3-(1,5-dimethylcyclooct-2-en-1-yl)-3-ethoxy-N-methylpentan-1-amine has a molecular weight of 321.55 g/mol, XLogP of 5.19, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-3-(1,5-dimethylcyclooct-2-en-1-yl)-3-ethoxy-N-methylpentan-1-amine is sourced from PubChem (CID 123352426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).