1,1-diethoxy-N-methyl-5-(oxolan-2-yl)pentan-2-amine

C14H29NO3 — CID 79496181

IUPAC1,1-diethoxy-N-methyl-5-(oxolan-2-yl)pentan-2-amine
SMILESCCOC(OCC)C(CCCC1CCCO1)NC
InChIInChI=1S/C14H29NO3/c1-4-16-14(17-5-2)13(15-3)10-6-8-12-9-7-11-18-12/h12-15H,4-11H2,1-3H3
InChIKeyWIWGTPOZNBLXJT-UHFFFAOYSA-N
MW259.39 g/mol
LogP2.32
Rot. Bonds10

About 1,1-diethoxy-N-methyl-5-(oxolan-2-yl)pentan-2-amine

1,1-diethoxy-N-methyl-5-(oxolan-2-yl)pentan-2-amine (PubChem CID 79496181) has the molecular formula C14H29NO3 and a molecular weight of 259.39 g/mol. Its IUPAC name is 1,1-diethoxy-N-methyl-5-(oxolan-2-yl)pentan-2-amine.

Molecular Properties

Compound Name1,1-diethoxy-N-methyl-5-(oxolan-2-yl)pentan-2-amine
PubChem CID79496181
Molecular FormulaC14H29NO3
Molecular Weight259.39 g/mol
Exact Mass259.21
IUPAC Name1,1-diethoxy-N-methyl-5-(oxolan-2-yl)pentan-2-amine
SMILESCCOC(OCC)C(CCCC1CCCO1)NC
InChIInChI=1S/C14H29NO3/c1-4-16-14(17-5-2)13(15-3)10-6-8-12-9-7-11-18-12/h12-15H,4-11H2,1-3H3
InChIKeyWIWGTPOZNBLXJT-UHFFFAOYSA-N
XLogP2.32
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[1,1-diethoxy-5-(oxolan-2-yl)pentan-2-yl]hydrazine
CID 105246420
N,5-dimethyl-1-(oxolan-2-yl)heptan-4-amine
CID 65164663
N,5,6-trimethyl-1-(oxolan-2-yl)heptan-4-amine
CID 104993166
[1-cyclopropyl-1-ethoxy-5-(oxolan-2-yl)pentan-2-yl]hydrazine
CID 105273156
5-ethyl-N-methyl-1-(oxolan-2-yl)nonan-4-amine
CID 104993154
1-cyclohexyl-1-methoxy-N-methyl-5-(oxolan-2-yl)pentan-2-amine
CID 116771534
[5-methyl-1-(oxolan-2-yl)heptan-4-yl]hydrazine
CID 105219692
5-ethoxy-6,6-dimethyl-1-(oxolan-2-yl)-N-propylheptan-4-amine
CID 116726030
N,4-dimethyl-1-(oxolan-2-yl)pentan-3-amine
CID 62549646
1-cyclobutyl-N-methyl-4-(oxolan-2-yl)butan-1-amine
CID 65164623
1-(3-ethoxycyclobutyl)-N-methyl-5-(oxolan-2-yl)pentan-2-amine
CID 103168859
N-methyl-1-(3-methylcyclopentyl)-4-(oxolan-2-yl)butan-1-amine
CID 65413363

Frequently Asked Questions

What is the IUPAC name of 1,1-diethoxy-N-methyl-5-(oxolan-2-yl)pentan-2-amine?
The IUPAC name of 1,1-diethoxy-N-methyl-5-(oxolan-2-yl)pentan-2-amine (CID 79496181) is 1,1-diethoxy-N-methyl-5-(oxolan-2-yl)pentan-2-amine.
What is the SMILES notation for 1,1-diethoxy-N-methyl-5-(oxolan-2-yl)pentan-2-amine?
The canonical SMILES for 1,1-diethoxy-N-methyl-5-(oxolan-2-yl)pentan-2-amine is CCOC(OCC)C(CCCC1CCCO1)NC.
What is the InChIKey of 1,1-diethoxy-N-methyl-5-(oxolan-2-yl)pentan-2-amine?
The InChIKey is WIWGTPOZNBLXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO3/c1-4-16-14(17-5-2)13(15-3)10-6-8-12-9-7-11-18-12/h12-15H,4-11H2,1-3H3.
What are the key properties of 1,1-diethoxy-N-methyl-5-(oxolan-2-yl)pentan-2-amine?
1,1-diethoxy-N-methyl-5-(oxolan-2-yl)pentan-2-amine has a molecular weight of 259.39 g/mol, XLogP of 2.32, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethoxy-N-methyl-5-(oxolan-2-yl)pentan-2-amine is sourced from PubChem (CID 79496181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).