N-(1-cyclopropyl-2-methoxyethyl)-2,2-dimethylbutan-1-amine

C12H25NO — CID 103829362

IUPACN-(1-cyclopropyl-2-methoxyethyl)-2,2-dimethylbutan-1-amine
SMILESCCC(C)(C)CNC(COC)C1CC1
InChIInChI=1S/C12H25NO/c1-5-12(2,3)9-13-11(8-14-4)10-6-7-10/h10-11,13H,5-9H2,1-4H3
InChIKeyFKPHLSOXCPJQHO-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.44
Rot. Bonds7

About N-(1-cyclopropyl-2-methoxyethyl)-2,2-dimethylbutan-1-amine

N-(1-cyclopropyl-2-methoxyethyl)-2,2-dimethylbutan-1-amine (PubChem CID 103829362) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is N-(1-cyclopropyl-2-methoxyethyl)-2,2-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-(1-cyclopropyl-2-methoxyethyl)-2,2-dimethylbutan-1-amine
PubChem CID103829362
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC NameN-(1-cyclopropyl-2-methoxyethyl)-2,2-dimethylbutan-1-amine
SMILESCCC(C)(C)CNC(COC)C1CC1
InChIInChI=1S/C12H25NO/c1-5-12(2,3)9-13-11(8-14-4)10-6-7-10/h10-11,13H,5-9H2,1-4H3
InChIKeyFKPHLSOXCPJQHO-UHFFFAOYSA-N
XLogP2.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-cyclopropyl-2-methoxyethyl)-2,3,3-trimethylbutan-1-amine
CID 81338401
N-(1-methoxypropan-2-yl)-2,2-dimethylbutan-1-amine
CID 103460407
N-(1-cyclopropyl-2-methoxyethyl)-2-ethylbutan-1-amine
CID 115718062
N-(1-cyclopropyl-2-methoxyethyl)-5,5-dimethylhexan-1-amine
CID 115716677
1-cycloheptyl-N-ethyl-2-methoxyethanamine
CID 79574660
2-methoxy-N-methyl-1-(4-propylcyclohexyl)ethanamine
CID 79575352
1-cyclopropyl-N-(1-cyclopropyl-2-methoxyethyl)propan-1-amine
CID 115895248
N-(dicyclopropylmethyl)-4-methoxy-2,2-dimethylbutan-1-amine
CID 104628883
1-cyclopropyl-N-(2-methoxy-2-methylpropyl)butan-1-amine
CID 115770147
1-cyclopropyl-2-methoxy-N-[2-(1-methylpiperidin-4-yl)ethyl]ethanamine
CID 115717505
1-(4,4-difluorocyclohexyl)-N-ethyl-2-methoxyethanamine
CID 105165589
[1-[[(1-cyclopropyl-2-methoxyethyl)amino]methyl]cyclopropyl]methanol
CID 81343057

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropyl-2-methoxyethyl)-2,2-dimethylbutan-1-amine?
The IUPAC name of N-(1-cyclopropyl-2-methoxyethyl)-2,2-dimethylbutan-1-amine (CID 103829362) is N-(1-cyclopropyl-2-methoxyethyl)-2,2-dimethylbutan-1-amine.
What is the SMILES notation for N-(1-cyclopropyl-2-methoxyethyl)-2,2-dimethylbutan-1-amine?
The canonical SMILES for N-(1-cyclopropyl-2-methoxyethyl)-2,2-dimethylbutan-1-amine is CCC(C)(C)CNC(COC)C1CC1.
What is the InChIKey of N-(1-cyclopropyl-2-methoxyethyl)-2,2-dimethylbutan-1-amine?
The InChIKey is FKPHLSOXCPJQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-5-12(2,3)9-13-11(8-14-4)10-6-7-10/h10-11,13H,5-9H2,1-4H3.
What are the key properties of N-(1-cyclopropyl-2-methoxyethyl)-2,2-dimethylbutan-1-amine?
N-(1-cyclopropyl-2-methoxyethyl)-2,2-dimethylbutan-1-amine has a molecular weight of 199.34 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropyl-2-methoxyethyl)-2,2-dimethylbutan-1-amine is sourced from PubChem (CID 103829362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).