N-ethyl-N-prop-2-enylcyclobutanamine

C9H17N — CID 127002201

IUPACN-ethyl-N-prop-2-enylcyclobutanamine
SMILESC=CCN(CC)C1CCC1
InChIInChI=1S/C9H17N/c1-3-8-10(4-2)9-6-5-7-9/h3,9H,1,4-8H2,2H3
InChIKeyMUESEISDNNBFPW-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.05
Rot. Bonds4

About N-ethyl-N-prop-2-enylcyclobutanamine

N-ethyl-N-prop-2-enylcyclobutanamine (PubChem CID 127002201) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is N-ethyl-N-prop-2-enylcyclobutanamine.

Molecular Properties

Compound NameN-ethyl-N-prop-2-enylcyclobutanamine
PubChem CID127002201
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC NameN-ethyl-N-prop-2-enylcyclobutanamine
SMILESC=CCN(CC)C1CCC1
InChIInChI=1S/C9H17N/c1-3-8-10(4-2)9-6-5-7-9/h3,9H,1,4-8H2,2H3
InChIKeyMUESEISDNNBFPW-UHFFFAOYSA-N
XLogP2.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-ethyl-N-prop-2-enylcyclobutanamine?
The IUPAC name of N-ethyl-N-prop-2-enylcyclobutanamine (CID 127002201) is N-ethyl-N-prop-2-enylcyclobutanamine.
What is the SMILES notation for N-ethyl-N-prop-2-enylcyclobutanamine?
The canonical SMILES for N-ethyl-N-prop-2-enylcyclobutanamine is C=CCN(CC)C1CCC1.
What is the InChIKey of N-ethyl-N-prop-2-enylcyclobutanamine?
The InChIKey is MUESEISDNNBFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-3-8-10(4-2)9-6-5-7-9/h3,9H,1,4-8H2,2H3.
What are the key properties of N-ethyl-N-prop-2-enylcyclobutanamine?
N-ethyl-N-prop-2-enylcyclobutanamine has a molecular weight of 139.24 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-prop-2-enylcyclobutanamine is sourced from PubChem (CID 127002201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).