3-butoxy-N-propylspiro[3.6]decan-1-amine

C17H33NO — CID 66357055

IUPAC3-butoxy-N-propylspiro[3.6]decan-1-amine
SMILESCCCCOC1CC(NCCC)C12CCCCCC2
InChIInChI=1S/C17H33NO/c1-3-5-13-19-16-14-15(18-12-4-2)17(16)10-8-6-7-9-11-17/h15-16,18H,3-14H2,1-2H3
InChIKeyGCCGUBIGWJSARY-UHFFFAOYSA-N
MW267.46 g/mol
LogP4.28
Rot. Bonds7

About 3-butoxy-N-propylspiro[3.6]decan-1-amine

3-butoxy-N-propylspiro[3.6]decan-1-amine (PubChem CID 66357055) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is 3-butoxy-N-propylspiro[3.6]decan-1-amine.

Molecular Properties

Compound Name3-butoxy-N-propylspiro[3.6]decan-1-amine
PubChem CID66357055
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name3-butoxy-N-propylspiro[3.6]decan-1-amine
SMILESCCCCOC1CC(NCCC)C12CCCCCC2
InChIInChI=1S/C17H33NO/c1-3-5-13-19-16-14-15(18-12-4-2)17(16)10-8-6-7-9-11-17/h15-16,18H,3-14H2,1-2H3
InChIKeyGCCGUBIGWJSARY-UHFFFAOYSA-N
XLogP4.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-butoxy-N-propylspiro[3.6]decan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-3-heptoxyspiro[3.6]decan-1-amine
CID 66357419
N-ethyl-3-pentoxyspiro[3.4]octan-1-amine
CID 66356663
3-ethoxy-N-octylspiro[3.4]octan-1-amine
CID 115567181
N-methyl-3-octoxyspiro[3.5]nonan-1-amine
CID 66356621
3-ethoxy-N-pentylspiro[3.3]heptan-1-amine
CID 65295029
N-ethyl-3-(4-methylpentoxy)spiro[3.5]nonan-1-amine
CID 66358237
3-butoxy-2,2-diethyl-N-propylcyclobutan-1-amine
CID 66356852
3-butoxy-2-ethyl-2-methyl-N-propylcyclobutan-1-amine
CID 66356652
N-ethyl-3-(3,3,3-trifluoropropoxy)spiro[3.6]decan-1-amine
CID 82956691
3-ethoxy-N-(4-methylpentyl)spiro[3.5]nonan-1-amine
CID 65167976
N-ethyl-3-(3,3,3-trifluoropropoxy)spiro[3.5]nonan-1-amine
CID 82958075
N-(3-cyclohexyloxypropyl)-3-ethoxyspiro[3.3]heptan-1-amine
CID 65295628

Frequently Asked Questions

What is the IUPAC name of 3-butoxy-N-propylspiro[3.6]decan-1-amine?
The IUPAC name of 3-butoxy-N-propylspiro[3.6]decan-1-amine (CID 66357055) is 3-butoxy-N-propylspiro[3.6]decan-1-amine.
What is the SMILES notation for 3-butoxy-N-propylspiro[3.6]decan-1-amine?
The canonical SMILES for 3-butoxy-N-propylspiro[3.6]decan-1-amine is CCCCOC1CC(NCCC)C12CCCCCC2.
What is the InChIKey of 3-butoxy-N-propylspiro[3.6]decan-1-amine?
The InChIKey is GCCGUBIGWJSARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-3-5-13-19-16-14-15(18-12-4-2)17(16)10-8-6-7-9-11-17/h15-16,18H,3-14H2,1-2H3.
What are the key properties of 3-butoxy-N-propylspiro[3.6]decan-1-amine?
3-butoxy-N-propylspiro[3.6]decan-1-amine has a molecular weight of 267.46 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-N-propylspiro[3.6]decan-1-amine is sourced from PubChem (CID 66357055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).