1-cyclopropyl-N-ethyl-1-methoxy-3-methylbut-3-en-2-amine

C11H21NO — CID 116722432

IUPAC1-cyclopropyl-N-ethyl-1-methoxy-3-methylbut-3-en-2-amine
SMILESC=C(C)C(NCC)C(OC)C1CC1
InChIInChI=1S/C11H21NO/c1-5-12-10(8(2)3)11(13-4)9-6-7-9/h9-12H,2,5-7H2,1,3-4H3
InChIKeyDXUOGNCTDAMBTD-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.97
Rot. Bonds6

About 1-cyclopropyl-N-ethyl-1-methoxy-3-methylbut-3-en-2-amine

1-cyclopropyl-N-ethyl-1-methoxy-3-methylbut-3-en-2-amine (PubChem CID 116722432) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 1-cyclopropyl-N-ethyl-1-methoxy-3-methylbut-3-en-2-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-ethyl-1-methoxy-3-methylbut-3-en-2-amine
PubChem CID116722432
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name1-cyclopropyl-N-ethyl-1-methoxy-3-methylbut-3-en-2-amine
SMILESC=C(C)C(NCC)C(OC)C1CC1
InChIInChI=1S/C11H21NO/c1-5-12-10(8(2)3)11(13-4)9-6-7-9/h9-12H,2,5-7H2,1,3-4H3
InChIKeyDXUOGNCTDAMBTD-UHFFFAOYSA-N
XLogP1.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-4-methoxy-2-methylpent-1-en-3-amine
CID 79616696
1,2-dicyclohexyl-N-ethyl-2-methoxyethanamine
CID 116771642
1-cyclopropyl-1-methoxy-4-methylidene-N-propylhexan-2-amine
CID 116722865
1-cyclohexyl-N-ethyl-1-methoxy-3-methylbutan-2-amine
CID 116771723
1-cyclohexyl-N-ethyl-1-methoxy-3-methylhexan-2-amine
CID 114013848
N-ethyl-2-methyl-1-(4-propylcyclohexyl)prop-2-en-1-amine
CID 79177741
4-ethoxy-N-ethyl-2,5-dimethylhex-1-en-3-amine
CID 116721344
N-ethyl-2,4-dimethylhept-1-en-3-amine
CID 105005538
1-cyclopropyl-N-ethyl-1-methoxyhept-6-yn-2-amine
CID 116722520
1-cycloheptyl-N-ethyl-3-methylbut-3-en-2-amine
CID 105005423
1-(4-tert-butylphenyl)-2-cyclopropyl-N-ethyl-2-methoxyethanamine
CID 116722412
1-cyclopropyl-1,3-dimethoxypropan-2-ol
CID 116712579

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-ethyl-1-methoxy-3-methylbut-3-en-2-amine?
The IUPAC name of 1-cyclopropyl-N-ethyl-1-methoxy-3-methylbut-3-en-2-amine (CID 116722432) is 1-cyclopropyl-N-ethyl-1-methoxy-3-methylbut-3-en-2-amine.
What is the SMILES notation for 1-cyclopropyl-N-ethyl-1-methoxy-3-methylbut-3-en-2-amine?
The canonical SMILES for 1-cyclopropyl-N-ethyl-1-methoxy-3-methylbut-3-en-2-amine is C=C(C)C(NCC)C(OC)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-ethyl-1-methoxy-3-methylbut-3-en-2-amine?
The InChIKey is DXUOGNCTDAMBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-5-12-10(8(2)3)11(13-4)9-6-7-9/h9-12H,2,5-7H2,1,3-4H3.
What are the key properties of 1-cyclopropyl-N-ethyl-1-methoxy-3-methylbut-3-en-2-amine?
1-cyclopropyl-N-ethyl-1-methoxy-3-methylbut-3-en-2-amine has a molecular weight of 183.29 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-ethyl-1-methoxy-3-methylbut-3-en-2-amine is sourced from PubChem (CID 116722432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).