N,N-diethyl-3-propan-2-yloxypropan-1-amine

C10H23NO — CID 20742864

IUPACN,N-diethyl-3-propan-2-yloxypropan-1-amine
SMILESCCN(CC)CCCOC(C)C
InChIInChI=1S/C10H23NO/c1-5-11(6-2)8-7-9-12-10(3)4/h10H,5-9H2,1-4H3
InChIKeyQDVWJMUHZAMGNO-UHFFFAOYSA-N
MW173.30 g/mol
LogP2.14
Rot. Bonds7

About N,N-diethyl-3-propan-2-yloxypropan-1-amine

N,N-diethyl-3-propan-2-yloxypropan-1-amine (PubChem CID 20742864) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is N,N-diethyl-3-propan-2-yloxypropan-1-amine.

Molecular Properties

Compound NameN,N-diethyl-3-propan-2-yloxypropan-1-amine
PubChem CID20742864
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC NameN,N-diethyl-3-propan-2-yloxypropan-1-amine
SMILESCCN(CC)CCCOC(C)C
InChIInChI=1S/C10H23NO/c1-5-11(6-2)8-7-9-12-10(3)4/h10H,5-9H2,1-4H3
InChIKeyQDVWJMUHZAMGNO-UHFFFAOYSA-N
XLogP2.14
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N,N-diethyl-3-propan-2-yloxypropan-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

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-propan-2-yloxypropan-1-amine?
The IUPAC name of N,N-diethyl-3-propan-2-yloxypropan-1-amine (CID 20742864) is N,N-diethyl-3-propan-2-yloxypropan-1-amine.
What is the SMILES notation for N,N-diethyl-3-propan-2-yloxypropan-1-amine?
The canonical SMILES for N,N-diethyl-3-propan-2-yloxypropan-1-amine is CCN(CC)CCCOC(C)C.
What is the InChIKey of N,N-diethyl-3-propan-2-yloxypropan-1-amine?
The InChIKey is QDVWJMUHZAMGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO/c1-5-11(6-2)8-7-9-12-10(3)4/h10H,5-9H2,1-4H3.
What are the key properties of N,N-diethyl-3-propan-2-yloxypropan-1-amine?
N,N-diethyl-3-propan-2-yloxypropan-1-amine has a molecular weight of 173.30 g/mol, XLogP of 2.14, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-propan-2-yloxypropan-1-amine is sourced from PubChem (CID 20742864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).