N-(2-but-2-enoxypropyl)pentan-2-amine

C12H25NO — CID 76946850

IUPACN-(2-but-2-enoxypropyl)pentan-2-amine
SMILESCC=CCOC(C)CNC(C)CCC
InChIInChI=1S/C12H25NO/c1-5-7-9-14-12(4)10-13-11(3)8-6-2/h5,7,11-13H,6,8-10H2,1-4H3
InChIKeyMFNUNNRRQOINGV-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.75
Rot. Bonds8

About N-(2-but-2-enoxypropyl)pentan-2-amine

N-(2-but-2-enoxypropyl)pentan-2-amine (PubChem CID 76946850) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is N-(2-but-2-enoxypropyl)pentan-2-amine.

Molecular Properties

Compound NameN-(2-but-2-enoxypropyl)pentan-2-amine
PubChem CID76946850
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC NameN-(2-but-2-enoxypropyl)pentan-2-amine
SMILESCC=CCOC(C)CNC(C)CCC
InChIInChI=1S/C12H25NO/c1-5-7-9-14-12(4)10-13-11(3)8-6-2/h5,7,11-13H,6,8-10H2,1-4H3
InChIKeyMFNUNNRRQOINGV-UHFFFAOYSA-N
XLogP2.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-but-2-enoxypropyl)pentan-2-amine?
The IUPAC name of N-(2-but-2-enoxypropyl)pentan-2-amine (CID 76946850) is N-(2-but-2-enoxypropyl)pentan-2-amine.
What is the SMILES notation for N-(2-but-2-enoxypropyl)pentan-2-amine?
The canonical SMILES for N-(2-but-2-enoxypropyl)pentan-2-amine is CC=CCOC(C)CNC(C)CCC.
What is the InChIKey of N-(2-but-2-enoxypropyl)pentan-2-amine?
The InChIKey is MFNUNNRRQOINGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-5-7-9-14-12(4)10-13-11(3)8-6-2/h5,7,11-13H,6,8-10H2,1-4H3.
What are the key properties of N-(2-but-2-enoxypropyl)pentan-2-amine?
N-(2-but-2-enoxypropyl)pentan-2-amine has a molecular weight of 199.34 g/mol, XLogP of 2.75, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-but-2-enoxypropyl)pentan-2-amine is sourced from PubChem (CID 76946850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).