N-ethyl-3-methoxy-N-(3-propan-2-yloxypropyl)propan-1-amine

C12H27NO2 — CID 156884772

IUPACN-ethyl-3-methoxy-N-(3-propan-2-yloxypropyl)propan-1-amine
SMILESCCN(CCCOC)CCCOC(C)C
InChIInChI=1S/C12H27NO2/c1-5-13(8-6-10-14-4)9-7-11-15-12(2)3/h12H,5-11H2,1-4H3
InChIKeyLCVHKQPVFJOYGO-UHFFFAOYSA-N
MW217.35 g/mol
LogP2.16
Rot. Bonds10

About N-ethyl-3-methoxy-N-(3-propan-2-yloxypropyl)propan-1-amine

N-ethyl-3-methoxy-N-(3-propan-2-yloxypropyl)propan-1-amine (PubChem CID 156884772) has the molecular formula C12H27NO2 and a molecular weight of 217.35 g/mol. Its IUPAC name is N-ethyl-3-methoxy-N-(3-propan-2-yloxypropyl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-methoxy-N-(3-propan-2-yloxypropyl)propan-1-amine
PubChem CID156884772
Molecular FormulaC12H27NO2
Molecular Weight217.35 g/mol
Exact Mass217.20
IUPAC NameN-ethyl-3-methoxy-N-(3-propan-2-yloxypropyl)propan-1-amine
SMILESCCN(CCCOC)CCCOC(C)C
InChIInChI=1S/C12H27NO2/c1-5-13(8-6-10-14-4)9-7-11-15-12(2)3/h12H,5-11H2,1-4H3
InChIKeyLCVHKQPVFJOYGO-UHFFFAOYSA-N
XLogP2.16
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.35
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-ethyl-3-methoxy-N-(3-propan-2-yloxypropyl)propan-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

Related Compounds

N-ethyl-3-methoxy-N-(2-methoxyethyl)propan-1-amine
CID 143003406
N,N-diethyl-3-methoxypropan-1-amine;ethane
CID 142226095
N,N,N',N'-tetrakis(3-propan-2-yloxypropyl)methanediamine
CID 135274460
1-[2-methoxyethyl(3-methoxypropyl)amino]-3-propan-2-yloxypropan-2-ol
CID 61035306
ethane;N-ethyl-N-(2-methoxyethyl)pentan-1-amine
CID 176555082
N-ethyl-N-(2-methoxyethyl)decan-1-amine
CID 150451072
N'-ethyl-N'-(2-methoxyethyl)propane-1,3-diamine
CID 43137192
3-bromo-N-ethyl-N-[2-(3-methoxypropoxy)ethyl]propan-1-amine
CID 103184049
N-ethyl-N-(3-heptan-4-yloxypropyl)butan-1-amine
CID 142932877
N-(3-methoxypropyl)-N-propylbutan-1-amine
CID 148527090
1-methyl-1-(3-propan-2-yloxypropyl)hydrazine
CID 130815808
3-[3-propan-2-yloxypropyl(propyl)amino]propanoic acid
CID 82328087

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methoxy-N-(3-propan-2-yloxypropyl)propan-1-amine?
The IUPAC name of N-ethyl-3-methoxy-N-(3-propan-2-yloxypropyl)propan-1-amine (CID 156884772) is N-ethyl-3-methoxy-N-(3-propan-2-yloxypropyl)propan-1-amine.
What is the SMILES notation for N-ethyl-3-methoxy-N-(3-propan-2-yloxypropyl)propan-1-amine?
The canonical SMILES for N-ethyl-3-methoxy-N-(3-propan-2-yloxypropyl)propan-1-amine is CCN(CCCOC)CCCOC(C)C.
What is the InChIKey of N-ethyl-3-methoxy-N-(3-propan-2-yloxypropyl)propan-1-amine?
The InChIKey is LCVHKQPVFJOYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2/c1-5-13(8-6-10-14-4)9-7-11-15-12(2)3/h12H,5-11H2,1-4H3.
What are the key properties of N-ethyl-3-methoxy-N-(3-propan-2-yloxypropyl)propan-1-amine?
N-ethyl-3-methoxy-N-(3-propan-2-yloxypropyl)propan-1-amine has a molecular weight of 217.35 g/mol, XLogP of 2.16, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methoxy-N-(3-propan-2-yloxypropyl)propan-1-amine is sourced from PubChem (CID 156884772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).