N-tert-butyl-1-ethyl-3-ethynylpyrrolidin-3-amine

C12H22N2 — CID 59913364

IUPACN-tert-butyl-1-ethyl-3-ethynylpyrrolidin-3-amine
SMILESC#CC1(NC(C)(C)C)CCN(CC)C1
InChIInChI=1S/C12H22N2/c1-6-12(13-11(3,4)5)8-9-14(7-2)10-12/h1,13H,7-10H2,2-5H3
InChIKeyNNWLFDYWSPSIAD-UHFFFAOYSA-N
MW194.32 g/mol
LogP1.47
Rot. Bonds2

About N-tert-butyl-1-ethyl-3-ethynylpyrrolidin-3-amine

N-tert-butyl-1-ethyl-3-ethynylpyrrolidin-3-amine (PubChem CID 59913364) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is N-tert-butyl-1-ethyl-3-ethynylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-tert-butyl-1-ethyl-3-ethynylpyrrolidin-3-amine
PubChem CID59913364
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC NameN-tert-butyl-1-ethyl-3-ethynylpyrrolidin-3-amine
SMILESC#CC1(NC(C)(C)C)CCN(CC)C1
InChIInChI=1S/C12H22N2/c1-6-12(13-11(3,4)5)8-9-14(7-2)10-12/h1,13H,7-10H2,2-5H3
InChIKeyNNWLFDYWSPSIAD-UHFFFAOYSA-N
XLogP1.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 51.47
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

4-(tert-butylamino)-1-ethylpiperidine-4-carbonitrile
CID 22972970
N-tert-butyl-3-ethynyl-1-methylpiperidin-3-amine
CID 21306391
N-tert-butyl-1-ethynylcyclopentan-1-amine
CID 130011487
N-tert-butyl-4-ethynyl-1,2,2,6,6-pentamethylpiperidin-4-amine
CID 21306399
1-butyl-4-(tert-butylamino)piperidine-4-carbonitrile
CID 22972962
N-tert-butyl-3-ethynylpyrrolidin-3-amine
CID 59913349
8-tert-butyl-2-ethyl-2,8-diazaspiro[4.5]decane
CID 147776127
1-ethyl-4-(prop-2-ynylamino)azepane-4-carbonitrile
CID 65076196
6-ethyl-1,2,6-triazaspiro[2.4]hept-1-ene
CID 121460088
4-(tert-butylamino)-1-[3-(dimethylamino)propyl]piperidine-4-carbonitrile
CID 22972948
3-amino-1-ethylpyrrolidine-3-carbonitrile
CID 117012936
3,9-diethyl-3,9-diazaspiro[5.5]undecane
CID 20622591

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-ethyl-3-ethynylpyrrolidin-3-amine?
The IUPAC name of N-tert-butyl-1-ethyl-3-ethynylpyrrolidin-3-amine (CID 59913364) is N-tert-butyl-1-ethyl-3-ethynylpyrrolidin-3-amine.
What is the SMILES notation for N-tert-butyl-1-ethyl-3-ethynylpyrrolidin-3-amine?
The canonical SMILES for N-tert-butyl-1-ethyl-3-ethynylpyrrolidin-3-amine is C#CC1(NC(C)(C)C)CCN(CC)C1.
What is the InChIKey of N-tert-butyl-1-ethyl-3-ethynylpyrrolidin-3-amine?
The InChIKey is NNWLFDYWSPSIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-6-12(13-11(3,4)5)8-9-14(7-2)10-12/h1,13H,7-10H2,2-5H3.
What are the key properties of N-tert-butyl-1-ethyl-3-ethynylpyrrolidin-3-amine?
N-tert-butyl-1-ethyl-3-ethynylpyrrolidin-3-amine has a molecular weight of 194.32 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-ethyl-3-ethynylpyrrolidin-3-amine is sourced from PubChem (CID 59913364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).