N-(2-but-3-enoxyethyl)-2-methylpropan-2-amine

C10H21NO — CID 62442684

IUPACN-(2-but-3-enoxyethyl)-2-methylpropan-2-amine
SMILESC=CCCOCCNC(C)(C)C
InChIInChI=1S/C10H21NO/c1-5-6-8-12-9-7-11-10(2,3)4/h5,11H,1,6-9H2,2-4H3
InChIKeyFOFPEGYAVOOQIP-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.97
Rot. Bonds6

About N-(2-but-3-enoxyethyl)-2-methylpropan-2-amine

N-(2-but-3-enoxyethyl)-2-methylpropan-2-amine (PubChem CID 62442684) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is N-(2-but-3-enoxyethyl)-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-(2-but-3-enoxyethyl)-2-methylpropan-2-amine
PubChem CID62442684
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC NameN-(2-but-3-enoxyethyl)-2-methylpropan-2-amine
SMILESC=CCCOCCNC(C)(C)C
InChIInChI=1S/C10H21NO/c1-5-6-8-12-9-7-11-10(2,3)4/h5,11H,1,6-9H2,2-4H3
InChIKeyFOFPEGYAVOOQIP-UHFFFAOYSA-N
XLogP1.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-but-3-enoxyethyl)-2-methylpropan-2-amine?
The IUPAC name of N-(2-but-3-enoxyethyl)-2-methylpropan-2-amine (CID 62442684) is N-(2-but-3-enoxyethyl)-2-methylpropan-2-amine.
What is the SMILES notation for N-(2-but-3-enoxyethyl)-2-methylpropan-2-amine?
The canonical SMILES for N-(2-but-3-enoxyethyl)-2-methylpropan-2-amine is C=CCCOCCNC(C)(C)C.
What is the InChIKey of N-(2-but-3-enoxyethyl)-2-methylpropan-2-amine?
The InChIKey is FOFPEGYAVOOQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-5-6-8-12-9-7-11-10(2,3)4/h5,11H,1,6-9H2,2-4H3.
What are the key properties of N-(2-but-3-enoxyethyl)-2-methylpropan-2-amine?
N-(2-but-3-enoxyethyl)-2-methylpropan-2-amine has a molecular weight of 171.28 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-but-3-enoxyethyl)-2-methylpropan-2-amine is sourced from PubChem (CID 62442684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).