N-(3,3-diethoxypropyl)-N-ethyl-2-methylpropan-1-amine

C13H29NO2 — CID 63627903

IUPACN-(3,3-diethoxypropyl)-N-ethyl-2-methylpropan-1-amine
SMILESCCOC(CCN(CC)CC(C)C)OCC
InChIInChI=1S/C13H29NO2/c1-6-14(11-12(4)5)10-9-13(15-7-2)16-8-3/h12-13H,6-11H2,1-5H3
InChIKeyBRPKVRSFEZATDK-UHFFFAOYSA-N
MW231.38 g/mol
LogP2.75
Rot. Bonds10

About N-(3,3-diethoxypropyl)-N-ethyl-2-methylpropan-1-amine

N-(3,3-diethoxypropyl)-N-ethyl-2-methylpropan-1-amine (PubChem CID 63627903) has the molecular formula C13H29NO2 and a molecular weight of 231.38 g/mol. Its IUPAC name is N-(3,3-diethoxypropyl)-N-ethyl-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-(3,3-diethoxypropyl)-N-ethyl-2-methylpropan-1-amine
PubChem CID63627903
Molecular FormulaC13H29NO2
Molecular Weight231.38 g/mol
Exact Mass231.22
IUPAC NameN-(3,3-diethoxypropyl)-N-ethyl-2-methylpropan-1-amine
SMILESCCOC(CCN(CC)CC(C)C)OCC
InChIInChI=1S/C13H29NO2/c1-6-14(11-12(4)5)10-9-13(15-7-2)16-8-3/h12-13H,6-11H2,1-5H3
InChIKeyBRPKVRSFEZATDK-UHFFFAOYSA-N
XLogP2.75
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 52.75
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-(3,3-diethoxypropyl)-N-ethyl-2-methylpropan-1-amine?
The IUPAC name of N-(3,3-diethoxypropyl)-N-ethyl-2-methylpropan-1-amine (CID 63627903) is N-(3,3-diethoxypropyl)-N-ethyl-2-methylpropan-1-amine.
What is the SMILES notation for N-(3,3-diethoxypropyl)-N-ethyl-2-methylpropan-1-amine?
The canonical SMILES for N-(3,3-diethoxypropyl)-N-ethyl-2-methylpropan-1-amine is CCOC(CCN(CC)CC(C)C)OCC.
What is the InChIKey of N-(3,3-diethoxypropyl)-N-ethyl-2-methylpropan-1-amine?
The InChIKey is BRPKVRSFEZATDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO2/c1-6-14(11-12(4)5)10-9-13(15-7-2)16-8-3/h12-13H,6-11H2,1-5H3.
What are the key properties of N-(3,3-diethoxypropyl)-N-ethyl-2-methylpropan-1-amine?
N-(3,3-diethoxypropyl)-N-ethyl-2-methylpropan-1-amine has a molecular weight of 231.38 g/mol, XLogP of 2.75, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-diethoxypropyl)-N-ethyl-2-methylpropan-1-amine is sourced from PubChem (CID 63627903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).