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

C13H25N — CID 105005566

IUPACN-ethyl-2-methyl-1-(2,2,3,3-tetramethylcyclopropyl)prop-2-en-1-amine
SMILESC=C(C)C(NCC)C1C(C)(C)C1(C)C
InChIInChI=1S/C13H25N/c1-8-14-10(9(2)3)11-12(4,5)13(11,6)7/h10-11,14H,2,8H2,1,3-7H3
InChIKeyWSZOTUBWAWOFFW-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.22
Rot. Bonds4

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

N-ethyl-2-methyl-1-(2,2,3,3-tetramethylcyclopropyl)prop-2-en-1-amine (PubChem CID 105005566) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is N-ethyl-2-methyl-1-(2,2,3,3-tetramethylcyclopropyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-1-(2,2,3,3-tetramethylcyclopropyl)prop-2-en-1-amine
PubChem CID105005566
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC NameN-ethyl-2-methyl-1-(2,2,3,3-tetramethylcyclopropyl)prop-2-en-1-amine
SMILESC=C(C)C(NCC)C1C(C)(C)C1(C)C
InChIInChI=1S/C13H25N/c1-8-14-10(9(2)3)11-12(4,5)13(11,6)7/h10-11,14H,2,8H2,1,3-7H3
InChIKeyWSZOTUBWAWOFFW-UHFFFAOYSA-N
XLogP3.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,9,9-trimethyl-6-methylideneundecan-2-amine
CID 18716554
(2S)-2-(3,3-dimethylbut-1-en-2-yl)pyrrolidine
CID 58274550
2-(3,3-Dimethylbut-1-en-2-yl)pyrrolidine
CID 76751902
N,2,2,5,7-pentamethyl-6-methylideneoctan-4-amine
CID 89076765
N-ethyl-6,6,7-trimethyl-4-methylideneoct-7-en-3-amine
CID 89217463
5-ethyl-2,9,10-trimethyl-8-methylidene-N-propan-2-ylundecan-4-amine
CID 90878934
N,3,4,6-tetramethyl-3,6-bis(prop-1-en-2-yl)cycloheptan-1-amine
CID 91195542
4-ethyl-4-methyl-3-methylidene-N-propan-2-ylhexan-2-amine
CID 91412540
N-butyl-4-ethyl-4-methyl-3-methylidenehexan-2-amine
CID 91561482
(3R)-2-cyclopropyl-N-methylpent-1-en-3-amine
CID 117945350
(5R)-2-N-[(3R)-3,5-dimethyl-4-methylidenehexan-3-yl]-4,4-diethyl-5-methyl-3-methylideneheptane-2,5-diamine
CID 121478760
4-methyl-N-(3-methylpentan-2-yl)-4-(2-methylprop-2-enyl)-3-pentan-2-yloct-7-en-2-amine
CID 123187986

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-1-(2,2,3,3-tetramethylcyclopropyl)prop-2-en-1-amine?
The IUPAC name of N-ethyl-2-methyl-1-(2,2,3,3-tetramethylcyclopropyl)prop-2-en-1-amine (CID 105005566) is N-ethyl-2-methyl-1-(2,2,3,3-tetramethylcyclopropyl)prop-2-en-1-amine.
What is the SMILES notation for N-ethyl-2-methyl-1-(2,2,3,3-tetramethylcyclopropyl)prop-2-en-1-amine?
The canonical SMILES for N-ethyl-2-methyl-1-(2,2,3,3-tetramethylcyclopropyl)prop-2-en-1-amine is C=C(C)C(NCC)C1C(C)(C)C1(C)C.
What is the InChIKey of N-ethyl-2-methyl-1-(2,2,3,3-tetramethylcyclopropyl)prop-2-en-1-amine?
The InChIKey is WSZOTUBWAWOFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-8-14-10(9(2)3)11-12(4,5)13(11,6)7/h10-11,14H,2,8H2,1,3-7H3.
What are the key properties of N-ethyl-2-methyl-1-(2,2,3,3-tetramethylcyclopropyl)prop-2-en-1-amine?
N-ethyl-2-methyl-1-(2,2,3,3-tetramethylcyclopropyl)prop-2-en-1-amine has a molecular weight of 195.35 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-1-(2,2,3,3-tetramethylcyclopropyl)prop-2-en-1-amine is sourced from PubChem (CID 105005566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).