N-(2,2-dimethoxyethyl)-N-methylpentan-3-amine

C10H23NO2 — CID 66221244

IUPACN-(2,2-dimethoxyethyl)-N-methylpentan-3-amine
SMILESCCC(CC)N(C)CC(OC)OC
InChIInChI=1S/C10H23NO2/c1-6-9(7-2)11(3)8-10(12-4)13-5/h9-10H,6-8H2,1-5H3
InChIKeyVMYKVRDEVRRRCF-UHFFFAOYSA-N
MW189.30 g/mol
LogP1.73
Rot. Bonds7

About N-(2,2-dimethoxyethyl)-N-methylpentan-3-amine

N-(2,2-dimethoxyethyl)-N-methylpentan-3-amine (PubChem CID 66221244) has the molecular formula C10H23NO2 and a molecular weight of 189.30 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-N-methylpentan-3-amine.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-N-methylpentan-3-amine
PubChem CID66221244
Molecular FormulaC10H23NO2
Molecular Weight189.30 g/mol
Exact Mass189.17
IUPAC NameN-(2,2-dimethoxyethyl)-N-methylpentan-3-amine
SMILESCCC(CC)N(C)CC(OC)OC
InChIInChI=1S/C10H23NO2/c1-6-9(7-2)11(3)8-10(12-4)13-5/h9-10H,6-8H2,1-5H3
InChIKeyVMYKVRDEVRRRCF-UHFFFAOYSA-N
XLogP1.73
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)-N-methylpentan-3-amine?
The IUPAC name of N-(2,2-dimethoxyethyl)-N-methylpentan-3-amine (CID 66221244) is N-(2,2-dimethoxyethyl)-N-methylpentan-3-amine.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-N-methylpentan-3-amine?
The canonical SMILES for N-(2,2-dimethoxyethyl)-N-methylpentan-3-amine is CCC(CC)N(C)CC(OC)OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)-N-methylpentan-3-amine?
The InChIKey is VMYKVRDEVRRRCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2/c1-6-9(7-2)11(3)8-10(12-4)13-5/h9-10H,6-8H2,1-5H3.
What are the key properties of N-(2,2-dimethoxyethyl)-N-methylpentan-3-amine?
N-(2,2-dimethoxyethyl)-N-methylpentan-3-amine has a molecular weight of 189.30 g/mol, XLogP of 1.73, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-N-methylpentan-3-amine is sourced from PubChem (CID 66221244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).