N-methyl-3-pyrrolidin-3-ylbut-3-en-1-amine

C9H18N2 — CID 117268214

IUPACN-methyl-3-pyrrolidin-3-ylbut-3-en-1-amine
SMILESC=C(CCNC)C1CCNC1
InChIInChI=1S/C9H18N2/c1-8(3-5-10-2)9-4-6-11-7-9/h9-11H,1,3-7H2,2H3
InChIKeyKGKOONXFUBBZFT-UHFFFAOYSA-N
MW154.26 g/mol
LogP0.76
Rot. Bonds4

About N-methyl-3-pyrrolidin-3-ylbut-3-en-1-amine

N-methyl-3-pyrrolidin-3-ylbut-3-en-1-amine (PubChem CID 117268214) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is N-methyl-3-pyrrolidin-3-ylbut-3-en-1-amine.

Molecular Properties

Compound NameN-methyl-3-pyrrolidin-3-ylbut-3-en-1-amine
PubChem CID117268214
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC NameN-methyl-3-pyrrolidin-3-ylbut-3-en-1-amine
SMILESC=C(CCNC)C1CCNC1
InChIInChI=1S/C9H18N2/c1-8(3-5-10-2)9-4-6-11-7-9/h9-11H,1,3-7H2,2H3
InChIKeyKGKOONXFUBBZFT-UHFFFAOYSA-N
XLogP0.76
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.76
H-Bond Donors ≤ 52
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-methyl-3-pyrrolidin-3-ylbut-3-en-1-amine?
The IUPAC name of N-methyl-3-pyrrolidin-3-ylbut-3-en-1-amine (CID 117268214) is N-methyl-3-pyrrolidin-3-ylbut-3-en-1-amine.
What is the SMILES notation for N-methyl-3-pyrrolidin-3-ylbut-3-en-1-amine?
The canonical SMILES for N-methyl-3-pyrrolidin-3-ylbut-3-en-1-amine is C=C(CCNC)C1CCNC1.
What is the InChIKey of N-methyl-3-pyrrolidin-3-ylbut-3-en-1-amine?
The InChIKey is KGKOONXFUBBZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-8(3-5-10-2)9-4-6-11-7-9/h9-11H,1,3-7H2,2H3.
What are the key properties of N-methyl-3-pyrrolidin-3-ylbut-3-en-1-amine?
N-methyl-3-pyrrolidin-3-ylbut-3-en-1-amine has a molecular weight of 154.26 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-pyrrolidin-3-ylbut-3-en-1-amine is sourced from PubChem (CID 117268214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).