N-tert-butyl-3-ethynylpyrrolidin-3-amine

C10H18N2 — CID 59913349

IUPACN-tert-butyl-3-ethynylpyrrolidin-3-amine
SMILESC#CC1(NC(C)(C)C)CCNC1
InChIInChI=1S/C10H18N2/c1-5-10(6-7-11-8-10)12-9(2,3)4/h1,11-12H,6-8H2,2-4H3
InChIKeyCCZFWKXFTLABKU-UHFFFAOYSA-N
MW166.27 g/mol
LogP0.74
Rot. Bonds1

About N-tert-butyl-3-ethynylpyrrolidin-3-amine

N-tert-butyl-3-ethynylpyrrolidin-3-amine (PubChem CID 59913349) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is N-tert-butyl-3-ethynylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-tert-butyl-3-ethynylpyrrolidin-3-amine
PubChem CID59913349
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC NameN-tert-butyl-3-ethynylpyrrolidin-3-amine
SMILESC#CC1(NC(C)(C)C)CCNC1
InChIInChI=1S/C10H18N2/c1-5-10(6-7-11-8-10)12-9(2,3)4/h1,11-12H,6-8H2,2-4H3
InChIKeyCCZFWKXFTLABKU-UHFFFAOYSA-N
XLogP0.74
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-1-ethynylcyclopentan-1-amine
CID 130011487
N-tert-butyl-4-ethynyl-1,2,2,6,6-pentamethylpiperidin-4-amine
CID 21306399
N-tert-butyl-8-methyl-3,6,10,13,16,19-hexazabicyclo[6.6.6]icosan-1-amine
CID 166005338
1-(tert-butylamino)cyclopentane-1-carbonitrile
CID 20825324
2-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]propan-2-amine
CID 63143175
N-tert-butyl-3-ethylpyrrolidine-3-carboxamide
CID 63140815
(3S)-3-tert-butyl-3-fluoropyrrolidine
CID 129375471
N-(2-methylbut-3-yn-2-yl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980737
3-(2,2-dimethylpropyl)-3-fluoropyrrolidine
CID 83815669
6,6-dimethyl-1,4-diazocane
CID 139442519
ethane;(3S)-3-methylpyrrolidine-3-carbonitrile
CID 172607347
2-(3-hydroxypyrrolidin-3-yl)-2-methylpropanenitrile
CID 79130079

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-ethynylpyrrolidin-3-amine?
The IUPAC name of N-tert-butyl-3-ethynylpyrrolidin-3-amine (CID 59913349) is N-tert-butyl-3-ethynylpyrrolidin-3-amine.
What is the SMILES notation for N-tert-butyl-3-ethynylpyrrolidin-3-amine?
The canonical SMILES for N-tert-butyl-3-ethynylpyrrolidin-3-amine is C#CC1(NC(C)(C)C)CCNC1.
What is the InChIKey of N-tert-butyl-3-ethynylpyrrolidin-3-amine?
The InChIKey is CCZFWKXFTLABKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-5-10(6-7-11-8-10)12-9(2,3)4/h1,11-12H,6-8H2,2-4H3.
What are the key properties of N-tert-butyl-3-ethynylpyrrolidin-3-amine?
N-tert-butyl-3-ethynylpyrrolidin-3-amine has a molecular weight of 166.27 g/mol, XLogP of 0.74, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-ethynylpyrrolidin-3-amine is sourced from PubChem (CID 59913349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).