N-benzyl-N-ethenyl-4,4-diethoxybutan-1-amine

C17H27NO2 — CID 57019343

IUPACN-benzyl-N-ethenyl-4,4-diethoxybutan-1-amine
SMILESC=CN(CCCC(OCC)OCC)Cc1ccccc1
InChIInChI=1S/C17H27NO2/c1-4-18(15-16-11-8-7-9-12-16)14-10-13-17(19-5-2)20-6-3/h4,7-9,11-12,17H,1,5-6,10,13-15H2,2-3H3
InChIKeyCEIGZCZGAWKUTP-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.81
Rot. Bonds11

About N-benzyl-N-ethenyl-4,4-diethoxybutan-1-amine

N-benzyl-N-ethenyl-4,4-diethoxybutan-1-amine (PubChem CID 57019343) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-benzyl-N-ethenyl-4,4-diethoxybutan-1-amine.

Molecular Properties

Compound NameN-benzyl-N-ethenyl-4,4-diethoxybutan-1-amine
PubChem CID57019343
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-benzyl-N-ethenyl-4,4-diethoxybutan-1-amine
SMILESC=CN(CCCC(OCC)OCC)Cc1ccccc1
InChIInChI=1S/C17H27NO2/c1-4-18(15-16-11-8-7-9-12-16)14-10-13-17(19-5-2)20-6-3/h4,7-9,11-12,17H,1,5-6,10,13-15H2,2-3H3
InChIKeyCEIGZCZGAWKUTP-UHFFFAOYSA-N
XLogP3.81
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-2,2-dimethoxy-N-methylethanamine
CID 273620
N,N-dibenzyl-1,1-dimethoxymethanamine
CID 11129415
N,N-dibenzyl-1,1-dimethoxy-3-methylbutan-2-amine
CID 66587526
N-[(3-fluorophenyl)methyl]-2,2-dimethoxy-N-methylethanamine
CID 66223835
2-[Benzyl(2,2-diethoxyethyl)amino]acetyl fluoride
CID 5325491
1-Benzyl-1,2,3,6-tetrahydro-4-(2-methyl-1,3-dioxolan-2-yl)pyridine
CID 11971149
1-[3-(Dibenzylamino)-2-fluoropropoxy]ethanol
CID 138695483
(1R)-1-[3-(dibenzylamino)-2-fluoropropoxy]ethanol
CID 155251297
(2S,3S)-N,N-dibenzyl-4-(2,2-dimethoxyethoxy)-3-fluorobutan-2-amine
CID 178929820
(2S,3R)-N,N-dibenzyl-4-(2,2-dimethoxyethoxy)-3-fluorobutan-2-amine
CID 178930903
Benzyl-dimethyl-[2-methyl-2-(4,4,6-trimethyl-1,3-dioxan-2-yl)propyl]azanium;chloride
CID 2828561
N-benzyl-N,N,2-trimethyl-2-(4,4,6-trimethyl-1,3-dioxan-2-yl)propan-1-aminium
CID 2828562

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethenyl-4,4-diethoxybutan-1-amine?
The IUPAC name of N-benzyl-N-ethenyl-4,4-diethoxybutan-1-amine (CID 57019343) is N-benzyl-N-ethenyl-4,4-diethoxybutan-1-amine.
What is the SMILES notation for N-benzyl-N-ethenyl-4,4-diethoxybutan-1-amine?
The canonical SMILES for N-benzyl-N-ethenyl-4,4-diethoxybutan-1-amine is C=CN(CCCC(OCC)OCC)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-ethenyl-4,4-diethoxybutan-1-amine?
The InChIKey is CEIGZCZGAWKUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-4-18(15-16-11-8-7-9-12-16)14-10-13-17(19-5-2)20-6-3/h4,7-9,11-12,17H,1,5-6,10,13-15H2,2-3H3.
What are the key properties of N-benzyl-N-ethenyl-4,4-diethoxybutan-1-amine?
N-benzyl-N-ethenyl-4,4-diethoxybutan-1-amine has a molecular weight of 277.41 g/mol, XLogP of 3.81, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethenyl-4,4-diethoxybutan-1-amine is sourced from PubChem (CID 57019343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).