N-but-3-yn-2-yl-1-propan-2-ylpyrrolidin-3-amine

C11H20N2 — CID 114415416

IUPACN-but-3-yn-2-yl-1-propan-2-ylpyrrolidin-3-amine
SMILESC#CC(C)NC1CCN(C(C)C)C1
InChIInChI=1S/C11H20N2/c1-5-10(4)12-11-6-7-13(8-11)9(2)3/h1,9-12H,6-8H2,2-4H3
InChIKeyKHCVSZIVSRHTNS-UHFFFAOYSA-N
MW180.30 g/mol
LogP1.08
Rot. Bonds3

About N-but-3-yn-2-yl-1-propan-2-ylpyrrolidin-3-amine

N-but-3-yn-2-yl-1-propan-2-ylpyrrolidin-3-amine (PubChem CID 114415416) has the molecular formula C11H20N2 and a molecular weight of 180.30 g/mol. Its IUPAC name is N-but-3-yn-2-yl-1-propan-2-ylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-but-3-yn-2-yl-1-propan-2-ylpyrrolidin-3-amine
PubChem CID114415416
Molecular FormulaC11H20N2
Molecular Weight180.30 g/mol
Exact Mass180.16
IUPAC NameN-but-3-yn-2-yl-1-propan-2-ylpyrrolidin-3-amine
SMILESC#CC(C)NC1CCN(C(C)C)C1
InChIInChI=1S/C11H20N2/c1-5-10(4)12-11-6-7-13(8-11)9(2)3/h1,9-12H,6-8H2,2-4H3
InChIKeyKHCVSZIVSRHTNS-UHFFFAOYSA-N
XLogP1.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.30
LogP ≤ 51.08
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

(3S)-N,1-di(propan-2-yl)pyrrolidin-3-amine
CID 94057880
(3R)-N-methyl-1-propan-2-ylpyrrolidin-3-amine
CID 55299463
N-(1-cyclobutylethyl)-1-propan-2-ylpyrrolidin-3-amine
CID 115717125
N-hex-5-ynyl-1-propan-2-ylpyrrolidin-3-amine
CID 115694258
N-methyl-1-propan-2-ylpyrrolidin-3-amine;molecular hydrogen
CID 177033452
(1-propan-2-ylpyrrolidin-3-yl)cyanamide
CID 130950441
N-(1-methylsulfanylpropan-2-yl)-1-propan-2-ylpyrrolidin-3-amine
CID 115721705
2-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)amino]butan-1-ol
CID 115689458
1-propan-2-yl-N-(trifluoromethyl)pyrrolidin-3-amine
CID 71632965
N-(4-methoxybutan-2-yl)-1-propan-2-ylpyrrolidin-3-amine
CID 64605853
(3R)-3-ethynyl-1-propan-2-ylpyrrolidine
CID 58029510
N-(1-methylsulfanylbutan-2-yl)-1-propan-2-ylpyrrolidin-3-amine
CID 115901796

Frequently Asked Questions

What is the IUPAC name of N-but-3-yn-2-yl-1-propan-2-ylpyrrolidin-3-amine?
The IUPAC name of N-but-3-yn-2-yl-1-propan-2-ylpyrrolidin-3-amine (CID 114415416) is N-but-3-yn-2-yl-1-propan-2-ylpyrrolidin-3-amine.
What is the SMILES notation for N-but-3-yn-2-yl-1-propan-2-ylpyrrolidin-3-amine?
The canonical SMILES for N-but-3-yn-2-yl-1-propan-2-ylpyrrolidin-3-amine is C#CC(C)NC1CCN(C(C)C)C1.
What is the InChIKey of N-but-3-yn-2-yl-1-propan-2-ylpyrrolidin-3-amine?
The InChIKey is KHCVSZIVSRHTNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-5-10(4)12-11-6-7-13(8-11)9(2)3/h1,9-12H,6-8H2,2-4H3.
What are the key properties of N-but-3-yn-2-yl-1-propan-2-ylpyrrolidin-3-amine?
N-but-3-yn-2-yl-1-propan-2-ylpyrrolidin-3-amine has a molecular weight of 180.30 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-yn-2-yl-1-propan-2-ylpyrrolidin-3-amine is sourced from PubChem (CID 114415416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).