N-(2,2-dimethyl-3-prop-2-enoxypropyl)cyclopropanamine

C11H21NO — CID 79620990

IUPACN-(2,2-dimethyl-3-prop-2-enoxypropyl)cyclopropanamine
SMILESC=CCOCC(C)(C)CNC1CC1
InChIInChI=1S/C11H21NO/c1-4-7-13-9-11(2,3)8-12-10-5-6-10/h4,10,12H,1,5-9H2,2-3H3
InChIKeyROVSYWRKJJGOLA-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.97
Rot. Bonds7

About N-(2,2-dimethyl-3-prop-2-enoxypropyl)cyclopropanamine

N-(2,2-dimethyl-3-prop-2-enoxypropyl)cyclopropanamine (PubChem CID 79620990) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is N-(2,2-dimethyl-3-prop-2-enoxypropyl)cyclopropanamine.

Molecular Properties

Compound NameN-(2,2-dimethyl-3-prop-2-enoxypropyl)cyclopropanamine
PubChem CID79620990
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC NameN-(2,2-dimethyl-3-prop-2-enoxypropyl)cyclopropanamine
SMILESC=CCOCC(C)(C)CNC1CC1
InChIInChI=1S/C11H21NO/c1-4-7-13-9-11(2,3)8-12-10-5-6-10/h4,10,12H,1,5-9H2,2-3H3
InChIKeyROVSYWRKJJGOLA-UHFFFAOYSA-N
XLogP1.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
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-(2,2-dimethyl-3-prop-2-enoxypropyl)cyclopropanamine?
The IUPAC name of N-(2,2-dimethyl-3-prop-2-enoxypropyl)cyclopropanamine (CID 79620990) is N-(2,2-dimethyl-3-prop-2-enoxypropyl)cyclopropanamine.
What is the SMILES notation for N-(2,2-dimethyl-3-prop-2-enoxypropyl)cyclopropanamine?
The canonical SMILES for N-(2,2-dimethyl-3-prop-2-enoxypropyl)cyclopropanamine is C=CCOCC(C)(C)CNC1CC1.
What is the InChIKey of N-(2,2-dimethyl-3-prop-2-enoxypropyl)cyclopropanamine?
The InChIKey is ROVSYWRKJJGOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-4-7-13-9-11(2,3)8-12-10-5-6-10/h4,10,12H,1,5-9H2,2-3H3.
What are the key properties of N-(2,2-dimethyl-3-prop-2-enoxypropyl)cyclopropanamine?
N-(2,2-dimethyl-3-prop-2-enoxypropyl)cyclopropanamine has a molecular weight of 183.29 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-3-prop-2-enoxypropyl)cyclopropanamine is sourced from PubChem (CID 79620990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).