1-prop-2-ynylpyrrolidin-3-amine

C7H12N2 — CID 60861470

IUPAC1-prop-2-ynylpyrrolidin-3-amine
SMILESC#CCN1CCC(N)C1
InChIInChI=1S/C7H12N2/c1-2-4-9-5-3-7(8)6-9/h1,7H,3-6,8H2
InChIKeyXYWHPTZDLSUSDJ-UHFFFAOYSA-N
MW124.19 g/mol
LogP-0.35
Rot. Bonds1

About 1-prop-2-ynylpyrrolidin-3-amine

1-prop-2-ynylpyrrolidin-3-amine (PubChem CID 60861470) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 1-prop-2-ynylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-prop-2-ynylpyrrolidin-3-amine
PubChem CID60861470
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name1-prop-2-ynylpyrrolidin-3-amine
SMILESC#CCN1CCC(N)C1
InChIInChI=1S/C7H12N2/c1-2-4-9-5-3-7(8)6-9/h1,7H,3-6,8H2
InChIKeyXYWHPTZDLSUSDJ-UHFFFAOYSA-N
XLogP-0.35
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-propyl-1-prop-2-ynylpyrrolidine
CID 115667587
1-prop-2-ynylpyrrolidine-3-carboxamide
CID 87958018
(3S)-1-ethylpyrrolidin-3-amine
CID 10678211
4-ethyl-1-prop-2-ynylpiperidine
CID 60965394
3-prop-2-ynyl-3,9-diazabicyclo[4.2.1]nonane
CID 115314407
(1-prop-2-ynylpiperidin-3-yl)methanol
CID 18616526
S-(1-prop-2-ynylpiperidin-3-yl)thiohydroxylamine
CID 142513145
1,4,7-tris(prop-2-ynyl)-1,4,7-triazonane
CID 90277190
1-prop-2-ynylpiperidin-4-ol;hydrochloride
CID 146626948
3-prop-2-ynyl-3-azabicyclo[3.1.1]heptan-6-amine
CID 130900540
(3R)-1-(2,2-difluoroethyl)pyrrolidin-3-amine
CID 79005005
(3R)-1-but-2-ynylpiperidin-3-amine
CID 94397315

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-ynylpyrrolidin-3-amine?
The IUPAC name of 1-prop-2-ynylpyrrolidin-3-amine (CID 60861470) is 1-prop-2-ynylpyrrolidin-3-amine.
What is the SMILES notation for 1-prop-2-ynylpyrrolidin-3-amine?
The canonical SMILES for 1-prop-2-ynylpyrrolidin-3-amine is C#CCN1CCC(N)C1.
What is the InChIKey of 1-prop-2-ynylpyrrolidin-3-amine?
The InChIKey is XYWHPTZDLSUSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-2-4-9-5-3-7(8)6-9/h1,7H,3-6,8H2.
What are the key properties of 1-prop-2-ynylpyrrolidin-3-amine?
1-prop-2-ynylpyrrolidin-3-amine has a molecular weight of 124.19 g/mol, XLogP of -0.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-ynylpyrrolidin-3-amine is sourced from PubChem (CID 60861470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).