N-(2-but-3-enoxyethyl)-4-methoxybutan-2-amine

C11H23NO2 — CID 103852873

IUPACN-(2-but-3-enoxyethyl)-4-methoxybutan-2-amine
SMILESC=CCCOCCNC(C)CCOC
InChIInChI=1S/C11H23NO2/c1-4-5-8-14-10-7-12-11(2)6-9-13-3/h4,11-12H,1,5-10H2,2-3H3
InChIKeyOSGUDOOKVDATBQ-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.59
Rot. Bonds10

About N-(2-but-3-enoxyethyl)-4-methoxybutan-2-amine

N-(2-but-3-enoxyethyl)-4-methoxybutan-2-amine (PubChem CID 103852873) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is N-(2-but-3-enoxyethyl)-4-methoxybutan-2-amine.

Molecular Properties

Compound NameN-(2-but-3-enoxyethyl)-4-methoxybutan-2-amine
PubChem CID103852873
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC NameN-(2-but-3-enoxyethyl)-4-methoxybutan-2-amine
SMILESC=CCCOCCNC(C)CCOC
InChIInChI=1S/C11H23NO2/c1-4-5-8-14-10-7-12-11(2)6-9-13-3/h4,11-12H,1,5-10H2,2-3H3
InChIKeyOSGUDOOKVDATBQ-UHFFFAOYSA-N
XLogP1.59
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methoxybutan-2-yl)pent-4-en-1-amine
CID 64603427
5-methyl-N-(2-pent-4-enoxyethyl)hexan-2-amine
CID 79113827
methyl 3-(2-but-3-enoxyethylamino)butanoate
CID 103952227
3-(2-but-3-enoxyethylamino)butanamide
CID 115896708
N-(5-methoxypentyl)hex-5-en-2-amine
CID 104582118
N-(2-but-3-enoxyethyl)-1-methoxybutan-2-amine
CID 103905015
3-(2-but-3-enoxyethylamino)butan-2-ol
CID 106401424
ethyl 3-(2-but-3-enoxyethylamino)butanoate
CID 106401724
N-(2-fluoroethyl)-4-methoxybutan-2-amine
CID 80695684
tert-butyl N-[2-(2-but-3-enoxyethylamino)propyl]carbamate
CID 106396997
4-chloro-N-[2-(3-methoxypropoxy)ethyl]butan-2-amine
CID 103184040
N-[2-(3-methoxypropoxy)ethyl]hexan-2-amine
CID 103178889

Frequently Asked Questions

What is the IUPAC name of N-(2-but-3-enoxyethyl)-4-methoxybutan-2-amine?
The IUPAC name of N-(2-but-3-enoxyethyl)-4-methoxybutan-2-amine (CID 103852873) is N-(2-but-3-enoxyethyl)-4-methoxybutan-2-amine.
What is the SMILES notation for N-(2-but-3-enoxyethyl)-4-methoxybutan-2-amine?
The canonical SMILES for N-(2-but-3-enoxyethyl)-4-methoxybutan-2-amine is C=CCCOCCNC(C)CCOC.
What is the InChIKey of N-(2-but-3-enoxyethyl)-4-methoxybutan-2-amine?
The InChIKey is OSGUDOOKVDATBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-4-5-8-14-10-7-12-11(2)6-9-13-3/h4,11-12H,1,5-10H2,2-3H3.
What are the key properties of N-(2-but-3-enoxyethyl)-4-methoxybutan-2-amine?
N-(2-but-3-enoxyethyl)-4-methoxybutan-2-amine has a molecular weight of 201.31 g/mol, XLogP of 1.59, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-but-3-enoxyethyl)-4-methoxybutan-2-amine is sourced from PubChem (CID 103852873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).