3-(aminomethyl)-N-(3-methoxypropyl)-N,2,2,5,5-pentamethyloxolan-3-amine

C14H30N2O2 — CID 79928522

IUPAC3-(aminomethyl)-N-(3-methoxypropyl)-N,2,2,5,5-pentamethyloxolan-3-amine
SMILESCOCCCN(C)C1(CN)CC(C)(C)OC1(C)C
InChIInChI=1S/C14H30N2O2/c1-12(2)10-14(11-15,13(3,4)18-12)16(5)8-7-9-17-6/h7-11,15H2,1-6H3
InChIKeyANVGRPGWZKNBBN-UHFFFAOYSA-N
MW258.41 g/mol
LogP1.63
Rot. Bonds6

About 3-(aminomethyl)-N-(3-methoxypropyl)-N,2,2,5,5-pentamethyloxolan-3-amine

3-(aminomethyl)-N-(3-methoxypropyl)-N,2,2,5,5-pentamethyloxolan-3-amine (PubChem CID 79928522) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(3-methoxypropyl)-N,2,2,5,5-pentamethyloxolan-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-(3-methoxypropyl)-N,2,2,5,5-pentamethyloxolan-3-amine
PubChem CID79928522
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC Name3-(aminomethyl)-N-(3-methoxypropyl)-N,2,2,5,5-pentamethyloxolan-3-amine
SMILESCOCCCN(C)C1(CN)CC(C)(C)OC1(C)C
InChIInChI=1S/C14H30N2O2/c1-12(2)10-14(11-15,13(3,4)18-12)16(5)8-7-9-17-6/h7-11,15H2,1-6H3
InChIKeyANVGRPGWZKNBBN-UHFFFAOYSA-N
XLogP1.63
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(3-methoxypropyl)-N,2,2,5,5-pentamethyloxolan-3-amine?
The IUPAC name of 3-(aminomethyl)-N-(3-methoxypropyl)-N,2,2,5,5-pentamethyloxolan-3-amine (CID 79928522) is 3-(aminomethyl)-N-(3-methoxypropyl)-N,2,2,5,5-pentamethyloxolan-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N-(3-methoxypropyl)-N,2,2,5,5-pentamethyloxolan-3-amine?
The canonical SMILES for 3-(aminomethyl)-N-(3-methoxypropyl)-N,2,2,5,5-pentamethyloxolan-3-amine is COCCCN(C)C1(CN)CC(C)(C)OC1(C)C.
What is the InChIKey of 3-(aminomethyl)-N-(3-methoxypropyl)-N,2,2,5,5-pentamethyloxolan-3-amine?
The InChIKey is ANVGRPGWZKNBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2/c1-12(2)10-14(11-15,13(3,4)18-12)16(5)8-7-9-17-6/h7-11,15H2,1-6H3.
What are the key properties of 3-(aminomethyl)-N-(3-methoxypropyl)-N,2,2,5,5-pentamethyloxolan-3-amine?
3-(aminomethyl)-N-(3-methoxypropyl)-N,2,2,5,5-pentamethyloxolan-3-amine has a molecular weight of 258.41 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(3-methoxypropyl)-N,2,2,5,5-pentamethyloxolan-3-amine is sourced from PubChem (CID 79928522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).