N,N-diethyl-5-methoxypent-2-en-1-amine

C10H21NO — CID 4171799

IUPACN,N-diethyl-5-methoxypent-2-en-1-amine
SMILESCCN(CC)CC=CCCOC
InChIInChI=1S/C10H21NO/c1-4-11(5-2)9-7-6-8-10-12-3/h6-7H,4-5,8-10H2,1-3H3
InChIKeyGBJQVBXLTRYLAE-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.92
Rot. Bonds7

About N,N-diethyl-5-methoxypent-2-en-1-amine

N,N-diethyl-5-methoxypent-2-en-1-amine (PubChem CID 4171799) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is N,N-diethyl-5-methoxypent-2-en-1-amine.

Molecular Properties

Compound NameN,N-diethyl-5-methoxypent-2-en-1-amine
PubChem CID4171799
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC NameN,N-diethyl-5-methoxypent-2-en-1-amine
SMILESCCN(CC)CC=CCCOC
InChIInChI=1S/C10H21NO/c1-4-11(5-2)9-7-6-8-10-12-3/h6-7H,4-5,8-10H2,1-3H3
InChIKeyGBJQVBXLTRYLAE-UHFFFAOYSA-N
XLogP1.92
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N,N-diethyl-5-methoxypent-2-en-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

(Z)-5-methoxy-N,N-di(propan-2-yl)pent-2-en-1-amine
CID 54604560
5-methoxy-N,N-di(propan-2-yl)pent-2-en-1-amine
CID 328745
3-(methoxymethyl)-1-methyl-3,6-dihydro-2H-pyridine
CID 14442216
N-(4-methoxybut-2-enyl)-N-methylpent-2-en-1-amine
CID 59941291
1-[ethyl-[(2E,5E)-octa-2,5-dienyl]amino]ethanol
CID 87095700
1-[methyl-[(2E,6E)-octa-2,6-dienyl]amino]ethanol
CID 87095732
1-[methyl-[(2E,5E)-octa-2,5-dienyl]amino]ethanol
CID 87095741
1-[ethyl-[(2E,6E)-octa-2,6-dienyl]amino]ethanol
CID 87095927
[(E)-5-(dimethylamino)pent-3-enyl] hypochlorite
CID 88929807
2-(Methoxymethyl)-5-methyl-1-propan-2-yl-2,5-dihydropyrrole
CID 89385722
methoxymethane;1-methyl-3,6-dihydro-2H-pyridine
CID 90905249
(2Z,4R,5Z)-N-(1-methoxyethyl)-N,4-dimethylhepta-2,5-dien-1-amine
CID 126516377

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-methoxypent-2-en-1-amine?
The IUPAC name of N,N-diethyl-5-methoxypent-2-en-1-amine (CID 4171799) is N,N-diethyl-5-methoxypent-2-en-1-amine.
What is the SMILES notation for N,N-diethyl-5-methoxypent-2-en-1-amine?
The canonical SMILES for N,N-diethyl-5-methoxypent-2-en-1-amine is CCN(CC)CC=CCCOC.
What is the InChIKey of N,N-diethyl-5-methoxypent-2-en-1-amine?
The InChIKey is GBJQVBXLTRYLAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-4-11(5-2)9-7-6-8-10-12-3/h6-7H,4-5,8-10H2,1-3H3.
What are the key properties of N,N-diethyl-5-methoxypent-2-en-1-amine?
N,N-diethyl-5-methoxypent-2-en-1-amine has a molecular weight of 171.28 g/mol, XLogP of 1.92, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-methoxypent-2-en-1-amine is sourced from PubChem (CID 4171799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).