N-(2-but-3-enoxyethyl)-2-methylpropan-1-amine

C10H21NO — CID 62442685

IUPACN-(2-but-3-enoxyethyl)-2-methylpropan-1-amine
SMILESC=CCCOCCNCC(C)C
InChIInChI=1S/C10H21NO/c1-4-5-7-12-8-6-11-9-10(2)3/h4,10-11H,1,5-9H2,2-3H3
InChIKeyWKZHYDYBCRCATK-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.82
Rot. Bonds8

About N-(2-but-3-enoxyethyl)-2-methylpropan-1-amine

N-(2-but-3-enoxyethyl)-2-methylpropan-1-amine (PubChem CID 62442685) 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-1-amine.

Molecular Properties

Compound NameN-(2-but-3-enoxyethyl)-2-methylpropan-1-amine
PubChem CID62442685
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC NameN-(2-but-3-enoxyethyl)-2-methylpropan-1-amine
SMILESC=CCCOCCNCC(C)C
InChIInChI=1S/C10H21NO/c1-4-5-7-12-8-6-11-9-10(2)3/h4,10-11H,1,5-9H2,2-3H3
InChIKeyWKZHYDYBCRCATK-UHFFFAOYSA-N
XLogP1.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.82
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-1-amine?
The IUPAC name of N-(2-but-3-enoxyethyl)-2-methylpropan-1-amine (CID 62442685) is N-(2-but-3-enoxyethyl)-2-methylpropan-1-amine.
What is the SMILES notation for N-(2-but-3-enoxyethyl)-2-methylpropan-1-amine?
The canonical SMILES for N-(2-but-3-enoxyethyl)-2-methylpropan-1-amine is C=CCCOCCNCC(C)C.
What is the InChIKey of N-(2-but-3-enoxyethyl)-2-methylpropan-1-amine?
The InChIKey is WKZHYDYBCRCATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-4-5-7-12-8-6-11-9-10(2)3/h4,10-11H,1,5-9H2,2-3H3.
What are the key properties of N-(2-but-3-enoxyethyl)-2-methylpropan-1-amine?
N-(2-but-3-enoxyethyl)-2-methylpropan-1-amine has a molecular weight of 171.28 g/mol, XLogP of 1.82, 8 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-1-amine is sourced from PubChem (CID 62442685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).