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

C16H29NO — CID 154710504

IUPACN,N-dibutyl-4-(2-methylprop-2-enyl)-2,5-dihydrofuran-2-amine
SMILESC=C(C)CC1=CC(N(CCCC)CCCC)OC1
InChIInChI=1S/C16H29NO/c1-5-7-9-17(10-8-6-2)16-12-15(13-18-16)11-14(3)4/h12,16H,3,5-11,13H2,1-2,4H3
InChIKeyZGWUPBMPDNTJCT-UHFFFAOYSA-N
MW251.41 g/mol
LogP4.14
Rot. Bonds9

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

N,N-dibutyl-4-(2-methylprop-2-enyl)-2,5-dihydrofuran-2-amine (PubChem CID 154710504) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is N,N-dibutyl-4-(2-methylprop-2-enyl)-2,5-dihydrofuran-2-amine.

Molecular Properties

Compound NameN,N-dibutyl-4-(2-methylprop-2-enyl)-2,5-dihydrofuran-2-amine
PubChem CID154710504
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC NameN,N-dibutyl-4-(2-methylprop-2-enyl)-2,5-dihydrofuran-2-amine
SMILESC=C(C)CC1=CC(N(CCCC)CCCC)OC1
InChIInChI=1S/C16H29NO/c1-5-7-9-17(10-8-6-2)16-12-15(13-18-16)11-14(3)4/h12,16H,3,5-11,13H2,1-2,4H3
InChIKeyZGWUPBMPDNTJCT-UHFFFAOYSA-N
XLogP4.14
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4E,8E)-10-(hexyloxy)-N,N,4,8-tetramethyldeca-4,8-dien-1-amine
CID 44440595
4-(ethoxymethyl)-1-methyl-3,6-dihydro-2H-pyridine
CID 14442213
1-methyl-4-(propoxymethyl)-3,6-dihydro-2H-pyridine
CID 14442218
(4E,8E)-10-hexoxy-N,N,4,8-tetramethyl-deca-4,8-dien-1-amine
CID 16729186
(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
4-(2-methylprop-2-enyl)-N,N-dipropyl-2,5-dihydrofuran-2-amine
CID 154716956
N,N-diethyl-4-(2-methylprop-2-enyl)-2,5-dihydrofuran-2-amine
CID 154717594
(E)-N,N-diethyl-3-(methoxymethyl)hex-2-en-1-amine;ethane;propane
CID 144711890

Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-4-(2-methylprop-2-enyl)-2,5-dihydrofuran-2-amine?
The IUPAC name of N,N-dibutyl-4-(2-methylprop-2-enyl)-2,5-dihydrofuran-2-amine (CID 154710504) is N,N-dibutyl-4-(2-methylprop-2-enyl)-2,5-dihydrofuran-2-amine.
What is the SMILES notation for N,N-dibutyl-4-(2-methylprop-2-enyl)-2,5-dihydrofuran-2-amine?
The canonical SMILES for N,N-dibutyl-4-(2-methylprop-2-enyl)-2,5-dihydrofuran-2-amine is C=C(C)CC1=CC(N(CCCC)CCCC)OC1.
What is the InChIKey of N,N-dibutyl-4-(2-methylprop-2-enyl)-2,5-dihydrofuran-2-amine?
The InChIKey is ZGWUPBMPDNTJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-5-7-9-17(10-8-6-2)16-12-15(13-18-16)11-14(3)4/h12,16H,3,5-11,13H2,1-2,4H3.
What are the key properties of N,N-dibutyl-4-(2-methylprop-2-enyl)-2,5-dihydrofuran-2-amine?
N,N-dibutyl-4-(2-methylprop-2-enyl)-2,5-dihydrofuran-2-amine has a molecular weight of 251.41 g/mol, XLogP of 4.14, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-4-(2-methylprop-2-enyl)-2,5-dihydrofuran-2-amine is sourced from PubChem (CID 154710504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).