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

C9H16N2 — CID 63164590

IUPACN,N-dimethyl-1-prop-2-ynylpyrrolidin-3-amine
SMILESC#CCN1CCC(N(C)C)C1
InChIInChI=1S/C9H16N2/c1-4-6-11-7-5-9(8-11)10(2)3/h1,9H,5-8H2,2-3H3
InChIKeyJXONRTFVGJURQF-UHFFFAOYSA-N
MW152.24 g/mol
LogP0.26
Rot. Bonds2

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

N,N-dimethyl-1-prop-2-ynylpyrrolidin-3-amine (PubChem CID 63164590) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is N,N-dimethyl-1-prop-2-ynylpyrrolidin-3-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-prop-2-ynylpyrrolidin-3-amine
PubChem CID63164590
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC NameN,N-dimethyl-1-prop-2-ynylpyrrolidin-3-amine
SMILESC#CCN1CCC(N(C)C)C1
InChIInChI=1S/C9H16N2/c1-4-6-11-7-5-9(8-11)10(2)3/h1,9H,5-8H2,2-3H3
InChIKeyJXONRTFVGJURQF-UHFFFAOYSA-N
XLogP0.26
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-prop-2-ynylpyrrolidin-3-amine?
The IUPAC name of N,N-dimethyl-1-prop-2-ynylpyrrolidin-3-amine (CID 63164590) is N,N-dimethyl-1-prop-2-ynylpyrrolidin-3-amine.
What is the SMILES notation for N,N-dimethyl-1-prop-2-ynylpyrrolidin-3-amine?
The canonical SMILES for N,N-dimethyl-1-prop-2-ynylpyrrolidin-3-amine is C#CCN1CCC(N(C)C)C1.
What is the InChIKey of N,N-dimethyl-1-prop-2-ynylpyrrolidin-3-amine?
The InChIKey is JXONRTFVGJURQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-4-6-11-7-5-9(8-11)10(2)3/h1,9H,5-8H2,2-3H3.
What are the key properties of N,N-dimethyl-1-prop-2-ynylpyrrolidin-3-amine?
N,N-dimethyl-1-prop-2-ynylpyrrolidin-3-amine has a molecular weight of 152.24 g/mol, XLogP of 0.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-prop-2-ynylpyrrolidin-3-amine is sourced from PubChem (CID 63164590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).