3-[(7-ethyl-2-bicyclo[3.3.1]non-6-enyl)oxy]-N-methylpropan-1-amine

C15H27NO — CID 122498937

IUPAC3-[(7-ethyl-2-bicyclo[3.3.1]non-6-enyl)oxy]-N-methylpropan-1-amine
SMILESCCC1=CC2CCC(OCCCNC)C(C1)C2
InChIInChI=1S/C15H27NO/c1-3-12-9-13-5-6-15(14(10-12)11-13)17-8-4-7-16-2/h9,13-16H,3-8,10-11H2,1-2H3
InChIKeyZWVUNCYGSROQQP-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.14
Rot. Bonds6

About 3-[(7-ethyl-2-bicyclo[3.3.1]non-6-enyl)oxy]-N-methylpropan-1-amine

3-[(7-ethyl-2-bicyclo[3.3.1]non-6-enyl)oxy]-N-methylpropan-1-amine (PubChem CID 122498937) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 3-[(7-ethyl-2-bicyclo[3.3.1]non-6-enyl)oxy]-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-[(7-ethyl-2-bicyclo[3.3.1]non-6-enyl)oxy]-N-methylpropan-1-amine
PubChem CID122498937
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name3-[(7-ethyl-2-bicyclo[3.3.1]non-6-enyl)oxy]-N-methylpropan-1-amine
SMILESCCC1=CC2CCC(OCCCNC)C(C1)C2
InChIInChI=1S/C15H27NO/c1-3-12-9-13-5-6-15(14(10-12)11-13)17-8-4-7-16-2/h9,13-16H,3-8,10-11H2,1-2H3
InChIKeyZWVUNCYGSROQQP-UHFFFAOYSA-N
XLogP3.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[(7-ethyl-2-bicyclo[3.3.1]non-6-enyl)oxy]-N-methylpropan-1-amine with MolForge

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Launch Full Analysis

Related Compounds

(2E)-N-[3-(2-adamantyloxy)propyl]-3,7-dimethyl-octa-2,6-dien-1-amine
CID 90676156
N-[2-[(3,7-dimethyl-2-bicyclo[3.3.1]nonanyl)oxy]ethyl]-3,7,11-trimethyldodeca-2,6,10-trien-1-amine
CID 123544106
N-[3-(2-adamantyloxy)propyl]-3,7-dimethylocta-2,6-dien-1-amine
CID 123908755
(2E)-N-[3-[(3,7-dimethyl-2-bicyclo[3.3.1]nonanyl)oxy]propyl]-3,7-dimethylocta-2,6-dien-1-amine
CID 144804929
(2E)-N-[2-[(3,7-dimethyl-2-bicyclo[3.3.1]nonanyl)oxy]ethyl]-3,7-dimethylocta-2,6-dien-1-amine
CID 144804930
(2E,6E)-N-[2-[(3,7-dimethyl-2-bicyclo[3.3.1]nonanyl)oxy]ethyl]-3,7,11-trimethyldodeca-2,6,10-trien-1-amine
CID 144804947
N-methyl-4-(1-oxaspiro[5.5]undecan-4-yl)pent-3-en-1-amine
CID 79909852
1-[2-(3,5-dimethylcyclohex-3-en-1-yl)oxan-3-yl]-N-methylmethanamine
CID 113797579

Frequently Asked Questions

What is the IUPAC name of 3-[(7-ethyl-2-bicyclo[3.3.1]non-6-enyl)oxy]-N-methylpropan-1-amine?
The IUPAC name of 3-[(7-ethyl-2-bicyclo[3.3.1]non-6-enyl)oxy]-N-methylpropan-1-amine (CID 122498937) is 3-[(7-ethyl-2-bicyclo[3.3.1]non-6-enyl)oxy]-N-methylpropan-1-amine.
What is the SMILES notation for 3-[(7-ethyl-2-bicyclo[3.3.1]non-6-enyl)oxy]-N-methylpropan-1-amine?
The canonical SMILES for 3-[(7-ethyl-2-bicyclo[3.3.1]non-6-enyl)oxy]-N-methylpropan-1-amine is CCC1=CC2CCC(OCCCNC)C(C1)C2.
What is the InChIKey of 3-[(7-ethyl-2-bicyclo[3.3.1]non-6-enyl)oxy]-N-methylpropan-1-amine?
The InChIKey is ZWVUNCYGSROQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-3-12-9-13-5-6-15(14(10-12)11-13)17-8-4-7-16-2/h9,13-16H,3-8,10-11H2,1-2H3.
What are the key properties of 3-[(7-ethyl-2-bicyclo[3.3.1]non-6-enyl)oxy]-N-methylpropan-1-amine?
3-[(7-ethyl-2-bicyclo[3.3.1]non-6-enyl)oxy]-N-methylpropan-1-amine has a molecular weight of 237.39 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(7-ethyl-2-bicyclo[3.3.1]non-6-enyl)oxy]-N-methylpropan-1-amine is sourced from PubChem (CID 122498937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).