N-[2-cyclopropyl-1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methoxyethyl]propan-1-amine

C17H31NO3 — CID 116722752

IUPACN-[2-cyclopropyl-1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methoxyethyl]propan-1-amine
SMILESCCCNC(C1CCOC2(CCOC2)C1)C(OC)C1CC1
InChIInChI=1S/C17H31NO3/c1-3-8-18-15(16(19-2)13-4-5-13)14-6-9-21-17(11-14)7-10-20-12-17/h13-16,18H,3-12H2,1-2H3
InChIKeyQCADNVYBKJSGLW-UHFFFAOYSA-N
MW297.44 g/mol
LogP2.37
Rot. Bonds7

About N-[2-cyclopropyl-1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methoxyethyl]propan-1-amine

N-[2-cyclopropyl-1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methoxyethyl]propan-1-amine (PubChem CID 116722752) has the molecular formula C17H31NO3 and a molecular weight of 297.44 g/mol. Its IUPAC name is N-[2-cyclopropyl-1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methoxyethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-cyclopropyl-1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methoxyethyl]propan-1-amine
PubChem CID116722752
Molecular FormulaC17H31NO3
Molecular Weight297.44 g/mol
Exact Mass297.23
IUPAC NameN-[2-cyclopropyl-1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methoxyethyl]propan-1-amine
SMILESCCCNC(C1CCOC2(CCOC2)C1)C(OC)C1CC1
InChIInChI=1S/C17H31NO3/c1-3-8-18-15(16(19-2)13-4-5-13)14-6-9-21-17(11-14)7-10-20-12-17/h13-16,18H,3-12H2,1-2H3
InChIKeyQCADNVYBKJSGLW-UHFFFAOYSA-N
XLogP2.37
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-cyclopropyl-1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methoxyethyl]propan-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

2-cyclopropyl-1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-ethyl-2-methoxyethanamine
CID 116722472
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-propylpropan-1-amine
CID 79915597
4-(2,6-dioxaspiro[4.5]decan-9-yl)-N-propylpentan-2-amine
CID 79923010
N-[2,6-dioxaspiro[4.5]decan-9-yl-(2-methylcyclopentyl)methyl]propan-1-amine
CID 107190201
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2,2-dimethyl-N-propylbutan-1-amine
CID 105017232
2-methoxy-1-(1-oxaspiro[5.5]undecan-4-yl)-N-propylpropan-1-amine
CID 79911899
[1-(2,6-dioxaspiro[4.5]decan-9-yl)-2,2-dimethoxyethyl]hydrazine
CID 105246210
N-[2,6-dioxaspiro[4.5]decan-9-yl-(3-methylcyclopentyl)methyl]ethanamine
CID 79911261
N-[2-cyclohexyl-2-methoxy-1-(oxan-4-yl)ethyl]propan-1-amine
CID 116771903
N-[1,4-dioxan-2-yl(2,6-dioxaspiro[4.5]decan-9-yl)methyl]propan-1-amine
CID 115824814
N-[(5-bromofuran-2-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]propan-1-amine
CID 105016988
2-methoxy-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-N-propylpropan-1-amine
CID 79912064

Frequently Asked Questions

What is the IUPAC name of N-[2-cyclopropyl-1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methoxyethyl]propan-1-amine?
The IUPAC name of N-[2-cyclopropyl-1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methoxyethyl]propan-1-amine (CID 116722752) is N-[2-cyclopropyl-1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methoxyethyl]propan-1-amine.
What is the SMILES notation for N-[2-cyclopropyl-1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methoxyethyl]propan-1-amine?
The canonical SMILES for N-[2-cyclopropyl-1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methoxyethyl]propan-1-amine is CCCNC(C1CCOC2(CCOC2)C1)C(OC)C1CC1.
What is the InChIKey of N-[2-cyclopropyl-1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methoxyethyl]propan-1-amine?
The InChIKey is QCADNVYBKJSGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO3/c1-3-8-18-15(16(19-2)13-4-5-13)14-6-9-21-17(11-14)7-10-20-12-17/h13-16,18H,3-12H2,1-2H3.
What are the key properties of N-[2-cyclopropyl-1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methoxyethyl]propan-1-amine?
N-[2-cyclopropyl-1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methoxyethyl]propan-1-amine has a molecular weight of 297.44 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclopropyl-1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methoxyethyl]propan-1-amine is sourced from PubChem (CID 116722752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).