2-cyclopropyl-N-ethyl-2,3-dimethylbut-3-en-1-amine

C11H21N — CID 163836835

IUPAC2-cyclopropyl-N-ethyl-2,3-dimethylbut-3-en-1-amine
SMILESC=C(C)C(C)(CNCC)C1CC1
InChIInChI=1S/C11H21N/c1-5-12-8-11(4,9(2)3)10-6-7-10/h10,12H,2,5-8H2,1,3-4H3
InChIKeyOIMDUTHDJZVNAX-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.59
Rot. Bonds5

About 2-cyclopropyl-N-ethyl-2,3-dimethylbut-3-en-1-amine

2-cyclopropyl-N-ethyl-2,3-dimethylbut-3-en-1-amine (PubChem CID 163836835) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 2-cyclopropyl-N-ethyl-2,3-dimethylbut-3-en-1-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-ethyl-2,3-dimethylbut-3-en-1-amine
PubChem CID163836835
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name2-cyclopropyl-N-ethyl-2,3-dimethylbut-3-en-1-amine
SMILESC=C(C)C(C)(CNCC)C1CC1
InChIInChI=1S/C11H21N/c1-5-12-8-11(4,9(2)3)10-6-7-10/h10,12H,2,5-8H2,1,3-4H3
InChIKeyOIMDUTHDJZVNAX-UHFFFAOYSA-N
XLogP2.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.59
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

2-cyclobutyl-2,3-dimethylbut-3-en-1-ol
CID 57304061
2-cyclopropyl-N,2-diethylbutan-1-amine
CID 104819388
1-(ethylamino)-2-(4-ethylcyclohexyl)propan-2-ol
CID 66037701
2-cyclopropyl-N-ethyl-5-methoxy-2-methylpentan-1-amine
CID 83159680
2-cyclopropyl-N,2-diethylhexan-1-amine
CID 104819380
N-[(4-tert-butylcyclohexyl)methyl]-2-methylprop-2-en-1-amine
CID 114615781
2-cyclopropyl-N-ethyl-6-methoxy-2-methylhexan-1-amine
CID 104649541
2-cyclopentyl-N-ethylethanamine;hydrochloride
CID 3028141
2-(cyclopentylmethyl)-N-ethyl-2-methylpentan-1-amine
CID 63507341
1-(ethylamino)-2,3,3-trimethylbutan-2-ol
CID 80559205
2,2-dimethylpropane;ethane;ethylcyclopentane;2-methylprop-1-ene
CID 143356436
N-(cyclobutylmethyl)ethanamine;ethane
CID 171530006

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-ethyl-2,3-dimethylbut-3-en-1-amine?
The IUPAC name of 2-cyclopropyl-N-ethyl-2,3-dimethylbut-3-en-1-amine (CID 163836835) is 2-cyclopropyl-N-ethyl-2,3-dimethylbut-3-en-1-amine.
What is the SMILES notation for 2-cyclopropyl-N-ethyl-2,3-dimethylbut-3-en-1-amine?
The canonical SMILES for 2-cyclopropyl-N-ethyl-2,3-dimethylbut-3-en-1-amine is C=C(C)C(C)(CNCC)C1CC1.
What is the InChIKey of 2-cyclopropyl-N-ethyl-2,3-dimethylbut-3-en-1-amine?
The InChIKey is OIMDUTHDJZVNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-5-12-8-11(4,9(2)3)10-6-7-10/h10,12H,2,5-8H2,1,3-4H3.
What are the key properties of 2-cyclopropyl-N-ethyl-2,3-dimethylbut-3-en-1-amine?
2-cyclopropyl-N-ethyl-2,3-dimethylbut-3-en-1-amine has a molecular weight of 167.30 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-ethyl-2,3-dimethylbut-3-en-1-amine is sourced from PubChem (CID 163836835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).