N,3-dimethyl-2-prop-2-enoxybutan-1-amine

C9H19NO — CID 62442257

IUPACN,3-dimethyl-2-prop-2-enoxybutan-1-amine
SMILESC=CCOC(CNC)C(C)C
InChIInChI=1S/C9H19NO/c1-5-6-11-9(7-10-4)8(2)3/h5,8-10H,1,6-7H2,2-4H3
InChIKeyUHLUWFLULMNUKI-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.43
Rot. Bonds6

About N,3-dimethyl-2-prop-2-enoxybutan-1-amine

N,3-dimethyl-2-prop-2-enoxybutan-1-amine (PubChem CID 62442257) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is N,3-dimethyl-2-prop-2-enoxybutan-1-amine.

Molecular Properties

Compound NameN,3-dimethyl-2-prop-2-enoxybutan-1-amine
PubChem CID62442257
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC NameN,3-dimethyl-2-prop-2-enoxybutan-1-amine
SMILESC=CCOC(CNC)C(C)C
InChIInChI=1S/C9H19NO/c1-5-6-11-9(7-10-4)8(2)3/h5,8-10H,1,6-7H2,2-4H3
InChIKeyUHLUWFLULMNUKI-UHFFFAOYSA-N
XLogP1.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.43
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,3-dimethyl-2-prop-2-enoxybutan-1-amine?
The IUPAC name of N,3-dimethyl-2-prop-2-enoxybutan-1-amine (CID 62442257) is N,3-dimethyl-2-prop-2-enoxybutan-1-amine.
What is the SMILES notation for N,3-dimethyl-2-prop-2-enoxybutan-1-amine?
The canonical SMILES for N,3-dimethyl-2-prop-2-enoxybutan-1-amine is C=CCOC(CNC)C(C)C.
What is the InChIKey of N,3-dimethyl-2-prop-2-enoxybutan-1-amine?
The InChIKey is UHLUWFLULMNUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-5-6-11-9(7-10-4)8(2)3/h5,8-10H,1,6-7H2,2-4H3.
What are the key properties of N,3-dimethyl-2-prop-2-enoxybutan-1-amine?
N,3-dimethyl-2-prop-2-enoxybutan-1-amine has a molecular weight of 157.26 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-2-prop-2-enoxybutan-1-amine is sourced from PubChem (CID 62442257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).