N-ethenyl-N-(methylideneamino)-2-pyrrolidin-1-ylethanamine

C9H17N3 — CID 155718489

IUPACN-ethenyl-N-(methylideneamino)-2-pyrrolidin-1-ylethanamine
SMILESC=CN(CCN1CCCC1)N=C
InChIInChI=1S/C9H17N3/c1-3-12(10-2)9-8-11-6-4-5-7-11/h3H,1-2,4-9H2
InChIKeyRJPBGBXOZVOITQ-UHFFFAOYSA-N
MW167.26 g/mol
LogP1.14
Rot. Bonds5

About N-ethenyl-N-(methylideneamino)-2-pyrrolidin-1-ylethanamine

N-ethenyl-N-(methylideneamino)-2-pyrrolidin-1-ylethanamine (PubChem CID 155718489) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is N-ethenyl-N-(methylideneamino)-2-pyrrolidin-1-ylethanamine.

Molecular Properties

Compound NameN-ethenyl-N-(methylideneamino)-2-pyrrolidin-1-ylethanamine
PubChem CID155718489
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC NameN-ethenyl-N-(methylideneamino)-2-pyrrolidin-1-ylethanamine
SMILESC=CN(CCN1CCCC1)N=C
InChIInChI=1S/C9H17N3/c1-3-12(10-2)9-8-11-6-4-5-7-11/h3H,1-2,4-9H2
InChIKeyRJPBGBXOZVOITQ-UHFFFAOYSA-N
XLogP1.14
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethenyl-N-(methylideneamino)-2-pyrrolidin-1-ylethanamine?
The IUPAC name of N-ethenyl-N-(methylideneamino)-2-pyrrolidin-1-ylethanamine (CID 155718489) is N-ethenyl-N-(methylideneamino)-2-pyrrolidin-1-ylethanamine.
What is the SMILES notation for N-ethenyl-N-(methylideneamino)-2-pyrrolidin-1-ylethanamine?
The canonical SMILES for N-ethenyl-N-(methylideneamino)-2-pyrrolidin-1-ylethanamine is C=CN(CCN1CCCC1)N=C.
What is the InChIKey of N-ethenyl-N-(methylideneamino)-2-pyrrolidin-1-ylethanamine?
The InChIKey is RJPBGBXOZVOITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-3-12(10-2)9-8-11-6-4-5-7-11/h3H,1-2,4-9H2.
What are the key properties of N-ethenyl-N-(methylideneamino)-2-pyrrolidin-1-ylethanamine?
N-ethenyl-N-(methylideneamino)-2-pyrrolidin-1-ylethanamine has a molecular weight of 167.26 g/mol, XLogP of 1.14, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-N-(methylideneamino)-2-pyrrolidin-1-ylethanamine is sourced from PubChem (CID 155718489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).