N-ethyl-N-(2-methylidenebut-3-ynyl)-1-propylcyclopropan-1-amine

C13H21N — CID 137396835

IUPACN-ethyl-N-(2-methylidenebut-3-ynyl)-1-propylcyclopropan-1-amine
SMILESC#CC(=C)CN(CC)C1(CCC)CC1
InChIInChI=1S/C13H21N/c1-5-8-13(9-10-13)14(7-3)11-12(4)6-2/h2H,4-5,7-11H2,1,3H3
InChIKeyQPEPUWMZUSMGLQ-UHFFFAOYSA-N
MW191.32 g/mol
LogP2.83
Rot. Bonds6

About N-ethyl-N-(2-methylidenebut-3-ynyl)-1-propylcyclopropan-1-amine

N-ethyl-N-(2-methylidenebut-3-ynyl)-1-propylcyclopropan-1-amine (PubChem CID 137396835) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is N-ethyl-N-(2-methylidenebut-3-ynyl)-1-propylcyclopropan-1-amine.

Molecular Properties

Compound NameN-ethyl-N-(2-methylidenebut-3-ynyl)-1-propylcyclopropan-1-amine
PubChem CID137396835
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC NameN-ethyl-N-(2-methylidenebut-3-ynyl)-1-propylcyclopropan-1-amine
SMILESC#CC(=C)CN(CC)C1(CCC)CC1
InChIInChI=1S/C13H21N/c1-5-8-13(9-10-13)14(7-3)11-12(4)6-2/h2H,4-5,7-11H2,1,3H3
InChIKeyQPEPUWMZUSMGLQ-UHFFFAOYSA-N
XLogP2.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

carbon monoxide;cobalt;1-methyl-1-(3-methylidenepent-4-ynyl)cyclohexane
CID 11016015
2-[1-(diethylamino)cyclohexyl]ethanol
CID 10798065
butane;2-methylbut-1-en-3-yne
CID 145419919
(5S)-5-methyl-3-methylidenehept-1-yne
CID 15744328
3-methylidenedodec-1-yne
CID 101018984
N-benzyl-N,1-dipropylcyclopropan-1-amine
CID 90378697
N-ethyl-2-methyl-N-[(4-propylpiperidin-4-yl)methyl]prop-2-en-1-amine
CID 63129387
2-[[1-(aminomethyl)cyclohexyl]-ethylamino]-1-(azepan-1-yl)ethanone
CID 62006174
1-ethyl-N,N-dipropylcyclopropan-1-amine
CID 171080955
2-[[1-(aminomethyl)cyclopentyl]-ethylamino]-N-propylacetamide
CID 62007946
N-ethyl-1-methyl-N-propylcyclopropan-1-amine
CID 177037392
N-ethyl-2-methyl-N-prop-2-ynylprop-2-en-1-amine
CID 130666079

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-methylidenebut-3-ynyl)-1-propylcyclopropan-1-amine?
The IUPAC name of N-ethyl-N-(2-methylidenebut-3-ynyl)-1-propylcyclopropan-1-amine (CID 137396835) is N-ethyl-N-(2-methylidenebut-3-ynyl)-1-propylcyclopropan-1-amine.
What is the SMILES notation for N-ethyl-N-(2-methylidenebut-3-ynyl)-1-propylcyclopropan-1-amine?
The canonical SMILES for N-ethyl-N-(2-methylidenebut-3-ynyl)-1-propylcyclopropan-1-amine is C#CC(=C)CN(CC)C1(CCC)CC1.
What is the InChIKey of N-ethyl-N-(2-methylidenebut-3-ynyl)-1-propylcyclopropan-1-amine?
The InChIKey is QPEPUWMZUSMGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-5-8-13(9-10-13)14(7-3)11-12(4)6-2/h2H,4-5,7-11H2,1,3H3.
What are the key properties of N-ethyl-N-(2-methylidenebut-3-ynyl)-1-propylcyclopropan-1-amine?
N-ethyl-N-(2-methylidenebut-3-ynyl)-1-propylcyclopropan-1-amine has a molecular weight of 191.32 g/mol, XLogP of 2.83, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-methylidenebut-3-ynyl)-1-propylcyclopropan-1-amine is sourced from PubChem (CID 137396835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).