N-ethyl-1-(2,2,3,3-tetramethylcyclopropyl)prop-2-yn-1-amine

C12H21N — CID 104995861

IUPACN-ethyl-1-(2,2,3,3-tetramethylcyclopropyl)prop-2-yn-1-amine
SMILESC#CC(NCC)C1C(C)(C)C1(C)C
InChIInChI=1S/C12H21N/c1-7-9(13-8-2)10-11(3,4)12(10,5)6/h1,9-10,13H,8H2,2-6H3
InChIKeyWQPXCCNTJNROJQ-UHFFFAOYSA-N
MW179.31 g/mol
LogP2.28
Rot. Bonds3

About N-ethyl-1-(2,2,3,3-tetramethylcyclopropyl)prop-2-yn-1-amine

N-ethyl-1-(2,2,3,3-tetramethylcyclopropyl)prop-2-yn-1-amine (PubChem CID 104995861) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is N-ethyl-1-(2,2,3,3-tetramethylcyclopropyl)prop-2-yn-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(2,2,3,3-tetramethylcyclopropyl)prop-2-yn-1-amine
PubChem CID104995861
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC NameN-ethyl-1-(2,2,3,3-tetramethylcyclopropyl)prop-2-yn-1-amine
SMILESC#CC(NCC)C1C(C)(C)C1(C)C
InChIInChI=1S/C12H21N/c1-7-9(13-8-2)10-11(3,4)12(10,5)6/h1,9-10,13H,8H2,2-6H3
InChIKeyWQPXCCNTJNROJQ-UHFFFAOYSA-N
XLogP2.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-1-(2,4,5-trimethyloxolan-3-yl)prop-2-yn-1-amine
CID 104995859
N-ethyl-1-(thiolan-3-yl)prop-2-yn-1-amine
CID 105158299
1-(2-bicyclo[2.2.2]octanyl)-N-ethylprop-2-yn-1-amine
CID 131160154
N-ethyl-3-methyl-1-(2,2,3,3-tetramethylcyclopropyl)butan-1-amine
CID 115782782
1-(1,4-dimethylpiperazin-2-yl)-N-ethylprop-2-yn-1-amine
CID 79659606
N-ethyl-1-(3-methyloxan-4-yl)prop-2-yn-1-amine
CID 130492029
N-ethyl-2-methyl-1-(2,2,3,3-tetramethylcyclopropyl)prop-2-en-1-amine
CID 105005566
N-ethyl-2-methoxy-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
CID 105008985
1-(ethylamino)prop-2-yn-1-ol
CID 123392756
N-[cyclobutyl-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 105049594
N-ethyl-3-methyl-1-(2,2,3,3-tetramethylcyclopropyl)pentan-1-amine
CID 115846405
N-[cyclopentyl-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 115779057

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2,2,3,3-tetramethylcyclopropyl)prop-2-yn-1-amine?
The IUPAC name of N-ethyl-1-(2,2,3,3-tetramethylcyclopropyl)prop-2-yn-1-amine (CID 104995861) is N-ethyl-1-(2,2,3,3-tetramethylcyclopropyl)prop-2-yn-1-amine.
What is the SMILES notation for N-ethyl-1-(2,2,3,3-tetramethylcyclopropyl)prop-2-yn-1-amine?
The canonical SMILES for N-ethyl-1-(2,2,3,3-tetramethylcyclopropyl)prop-2-yn-1-amine is C#CC(NCC)C1C(C)(C)C1(C)C.
What is the InChIKey of N-ethyl-1-(2,2,3,3-tetramethylcyclopropyl)prop-2-yn-1-amine?
The InChIKey is WQPXCCNTJNROJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-7-9(13-8-2)10-11(3,4)12(10,5)6/h1,9-10,13H,8H2,2-6H3.
What are the key properties of N-ethyl-1-(2,2,3,3-tetramethylcyclopropyl)prop-2-yn-1-amine?
N-ethyl-1-(2,2,3,3-tetramethylcyclopropyl)prop-2-yn-1-amine has a molecular weight of 179.31 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2,2,3,3-tetramethylcyclopropyl)prop-2-yn-1-amine is sourced from PubChem (CID 104995861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).