1-cyclopropyl-N-ethyl-4-methoxy-3-methylbutan-1-amine

C11H23NO — CID 105157171

IUPAC1-cyclopropyl-N-ethyl-4-methoxy-3-methylbutan-1-amine
SMILESCCNC(CC(C)COC)C1CC1
InChIInChI=1S/C11H23NO/c1-4-12-11(10-5-6-10)7-9(2)8-13-3/h9-12H,4-8H2,1-3H3
InChIKeyRPGZNRVXLAHWNQ-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.05
Rot. Bonds7

About 1-cyclopropyl-N-ethyl-4-methoxy-3-methylbutan-1-amine

1-cyclopropyl-N-ethyl-4-methoxy-3-methylbutan-1-amine (PubChem CID 105157171) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 1-cyclopropyl-N-ethyl-4-methoxy-3-methylbutan-1-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-ethyl-4-methoxy-3-methylbutan-1-amine
PubChem CID105157171
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name1-cyclopropyl-N-ethyl-4-methoxy-3-methylbutan-1-amine
SMILESCCNC(CC(C)COC)C1CC1
InChIInChI=1S/C11H23NO/c1-4-12-11(10-5-6-10)7-9(2)8-13-3/h9-12H,4-8H2,1-3H3
InChIKeyRPGZNRVXLAHWNQ-UHFFFAOYSA-N
XLogP2.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(4-ethylcyclohexyl)-4-methoxy-3-methylbutan-1-amine
CID 105155241
1-cyclopentyl-4-methoxy-3-methyl-N-propylbutan-1-amine
CID 105080973
1-cycloheptyl-N-ethyl-2-methoxyethanamine
CID 79574660
1-cycloheptyl-N-ethyl-3-methylpentan-1-amine
CID 65399965
N-ethyl-5-methoxy-4-methylpentan-2-amine
CID 79569405
1-(4,4-difluorocyclohexyl)-N-ethyl-2-methoxyethanamine
CID 105165589
4-methoxy-3-methyl-1-(3-methylcyclohexyl)-N-propylbutan-1-amine
CID 105155901
1-cyclohexyl-N-ethyl-2-(2-methoxyethoxy)ethanamine
CID 104748657
1-cyclopentyl-N-ethyl-2-propan-2-yloxyethanamine
CID 79574827
1-cyclopropyl-N-ethyl-3,4,4-trimethylpentan-1-amine
CID 104994066
1-cyclohexyl-4-methoxy-3-methylbutan-1-amine
CID 105079501
N-ethyl-1-(4-ethylcyclohexyl)-3-methylbutan-1-amine
CID 64776246

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-ethyl-4-methoxy-3-methylbutan-1-amine?
The IUPAC name of 1-cyclopropyl-N-ethyl-4-methoxy-3-methylbutan-1-amine (CID 105157171) is 1-cyclopropyl-N-ethyl-4-methoxy-3-methylbutan-1-amine.
What is the SMILES notation for 1-cyclopropyl-N-ethyl-4-methoxy-3-methylbutan-1-amine?
The canonical SMILES for 1-cyclopropyl-N-ethyl-4-methoxy-3-methylbutan-1-amine is CCNC(CC(C)COC)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-ethyl-4-methoxy-3-methylbutan-1-amine?
The InChIKey is RPGZNRVXLAHWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-4-12-11(10-5-6-10)7-9(2)8-13-3/h9-12H,4-8H2,1-3H3.
What are the key properties of 1-cyclopropyl-N-ethyl-4-methoxy-3-methylbutan-1-amine?
1-cyclopropyl-N-ethyl-4-methoxy-3-methylbutan-1-amine has a molecular weight of 185.31 g/mol, XLogP of 2.05, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-ethyl-4-methoxy-3-methylbutan-1-amine is sourced from PubChem (CID 105157171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).