N,N-diethyl-4-(2-methylprop-2-enyl)-2,5-dihydrofuran-2-amine

C12H21NO — CID 154717594

IUPACN,N-diethyl-4-(2-methylprop-2-enyl)-2,5-dihydrofuran-2-amine
SMILESC=C(C)CC1=CC(N(CC)CC)OC1
InChIInChI=1S/C12H21NO/c1-5-13(6-2)12-8-11(9-14-12)7-10(3)4/h8,12H,3,5-7,9H2,1-2,4H3
InChIKeyZNZQKNMGCNXFBR-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.58
Rot. Bonds5

About N,N-diethyl-4-(2-methylprop-2-enyl)-2,5-dihydrofuran-2-amine

N,N-diethyl-4-(2-methylprop-2-enyl)-2,5-dihydrofuran-2-amine (PubChem CID 154717594) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is N,N-diethyl-4-(2-methylprop-2-enyl)-2,5-dihydrofuran-2-amine.

Molecular Properties

Compound NameN,N-diethyl-4-(2-methylprop-2-enyl)-2,5-dihydrofuran-2-amine
PubChem CID154717594
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC NameN,N-diethyl-4-(2-methylprop-2-enyl)-2,5-dihydrofuran-2-amine
SMILESC=C(C)CC1=CC(N(CC)CC)OC1
InChIInChI=1S/C12H21NO/c1-5-13(6-2)12-8-11(9-14-12)7-10(3)4/h8,12H,3,5-7,9H2,1-2,4H3
InChIKeyZNZQKNMGCNXFBR-UHFFFAOYSA-N
XLogP2.58
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N,N-diethyl-4-(2-methylprop-2-enyl)-2,5-dihydrofuran-2-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

(4-Allyl-2,5-dihydrofuran-2-yl)diethylamine
CID 129793090
(4-Allyl-2,5-dihydrofuran-2-yl)dibutylamine
CID 129793329
Dimethyl(4-allyl-2,5-dihydrofuran-2-yl)amine
CID 129793421
(4-Allyl-2,5-dihydrofuran-2-yl)dipropylamine
CID 129793601
4-(1-Buten-3-yl)-2-dibutylamino-2,5-dihydrofuran
CID 129800073
N,N-dibutyl-4-(2-methylprop-2-enyl)-2,5-dihydrofuran-2-amine
CID 154710504
4-(2-methylprop-2-enyl)-N,N-dipropyl-2,5-dihydrofuran-2-amine
CID 154716956
N,N-dimethyl-1-[2-methyl-3-(oxolan-2-yl)prop-2-enoxy]methanamine
CID 138510746
(E)-N,N-diethyl-3-(methoxymethyl)hex-2-en-1-amine;ethane;propane
CID 144711890
(E)-N,N-diethyl-3-(methoxymethyl)hex-2-en-1-amine
CID 144711891

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-(2-methylprop-2-enyl)-2,5-dihydrofuran-2-amine?
The IUPAC name of N,N-diethyl-4-(2-methylprop-2-enyl)-2,5-dihydrofuran-2-amine (CID 154717594) is N,N-diethyl-4-(2-methylprop-2-enyl)-2,5-dihydrofuran-2-amine.
What is the SMILES notation for N,N-diethyl-4-(2-methylprop-2-enyl)-2,5-dihydrofuran-2-amine?
The canonical SMILES for N,N-diethyl-4-(2-methylprop-2-enyl)-2,5-dihydrofuran-2-amine is C=C(C)CC1=CC(N(CC)CC)OC1.
What is the InChIKey of N,N-diethyl-4-(2-methylprop-2-enyl)-2,5-dihydrofuran-2-amine?
The InChIKey is ZNZQKNMGCNXFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-5-13(6-2)12-8-11(9-14-12)7-10(3)4/h8,12H,3,5-7,9H2,1-2,4H3.
What are the key properties of N,N-diethyl-4-(2-methylprop-2-enyl)-2,5-dihydrofuran-2-amine?
N,N-diethyl-4-(2-methylprop-2-enyl)-2,5-dihydrofuran-2-amine has a molecular weight of 195.31 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-(2-methylprop-2-enyl)-2,5-dihydrofuran-2-amine is sourced from PubChem (CID 154717594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).