N-methyl-4-prop-1-enoxybutan-2-amine

C8H17NO — CID 123840680

IUPACN-methyl-4-prop-1-enoxybutan-2-amine
SMILESCC=COCCC(C)NC
InChIInChI=1S/C8H17NO/c1-4-6-10-7-5-8(2)9-3/h4,6,8-9H,5,7H2,1-3H3
InChIKeyBUHQLTXNBRVAFN-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.53
Rot. Bonds5

About N-methyl-4-prop-1-enoxybutan-2-amine

N-methyl-4-prop-1-enoxybutan-2-amine (PubChem CID 123840680) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is N-methyl-4-prop-1-enoxybutan-2-amine.

Molecular Properties

Compound NameN-methyl-4-prop-1-enoxybutan-2-amine
PubChem CID123840680
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC NameN-methyl-4-prop-1-enoxybutan-2-amine
SMILESCC=COCCC(C)NC
InChIInChI=1S/C8H17NO/c1-4-6-10-7-5-8(2)9-3/h4,6,8-9H,5,7H2,1-3H3
InChIKeyBUHQLTXNBRVAFN-UHFFFAOYSA-N
XLogP1.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-prop-1-enoxybutan-2-amine?
The IUPAC name of N-methyl-4-prop-1-enoxybutan-2-amine (CID 123840680) is N-methyl-4-prop-1-enoxybutan-2-amine.
What is the SMILES notation for N-methyl-4-prop-1-enoxybutan-2-amine?
The canonical SMILES for N-methyl-4-prop-1-enoxybutan-2-amine is CC=COCCC(C)NC.
What is the InChIKey of N-methyl-4-prop-1-enoxybutan-2-amine?
The InChIKey is BUHQLTXNBRVAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-4-6-10-7-5-8(2)9-3/h4,6,8-9H,5,7H2,1-3H3.
What are the key properties of N-methyl-4-prop-1-enoxybutan-2-amine?
N-methyl-4-prop-1-enoxybutan-2-amine has a molecular weight of 143.23 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-prop-1-enoxybutan-2-amine is sourced from PubChem (CID 123840680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).