N-tert-butyl-2-ethyl-1-methoxy-2-methylcyclopropan-1-amine

C11H23NO — CID 10487773

IUPACN-tert-butyl-2-ethyl-1-methoxy-2-methylcyclopropan-1-amine
SMILESCCC1(C)CC1(NC(C)(C)C)OC
InChIInChI=1S/C11H23NO/c1-7-10(5)8-11(10,13-6)12-9(2,3)4/h12H,7-8H2,1-6H3
InChIKeyLYRFUDGWPNONFO-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.54
Rot. Bonds3

About N-tert-butyl-2-ethyl-1-methoxy-2-methylcyclopropan-1-amine

N-tert-butyl-2-ethyl-1-methoxy-2-methylcyclopropan-1-amine (PubChem CID 10487773) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is N-tert-butyl-2-ethyl-1-methoxy-2-methylcyclopropan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-ethyl-1-methoxy-2-methylcyclopropan-1-amine
PubChem CID10487773
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC NameN-tert-butyl-2-ethyl-1-methoxy-2-methylcyclopropan-1-amine
SMILESCCC1(C)CC1(NC(C)(C)C)OC
InChIInChI=1S/C11H23NO/c1-7-10(5)8-11(10,13-6)12-9(2,3)4/h12H,7-8H2,1-6H3
InChIKeyLYRFUDGWPNONFO-UHFFFAOYSA-N
XLogP2.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Cyclopropanamine, N-(1,1-dimethylethyl)-2,2-diethyl-1-methoxy-
CID 11117044
N-tert-Butyl-1-methoxy-2,2-dimethylcyclopropan-1-amine
CID 14069605
2,2-diethyl-1-methoxy-N-propan-2-ylcyclopropan-1-amine
CID 85630940
N-tert-butyl-2-butyl-1-methoxy-2-methylcyclopropan-1-amine
CID 134907390
N-tert-butyl-2-butyl-2-ethyl-1-methoxycyclopropan-1-amine
CID 134907545
2-ethyl-1-methoxy-2-methyl-N-propan-2-ylcyclopropan-1-amine
CID 134907889
N-tert-butyl-1-methoxy-2-methyl-2-propylcyclopropan-1-amine
CID 134975781
N-tert-butyl-2-ethyl-1-methoxy-2-propylcyclopropan-1-amine
CID 134975949

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-ethyl-1-methoxy-2-methylcyclopropan-1-amine?
The IUPAC name of N-tert-butyl-2-ethyl-1-methoxy-2-methylcyclopropan-1-amine (CID 10487773) is N-tert-butyl-2-ethyl-1-methoxy-2-methylcyclopropan-1-amine.
What is the SMILES notation for N-tert-butyl-2-ethyl-1-methoxy-2-methylcyclopropan-1-amine?
The canonical SMILES for N-tert-butyl-2-ethyl-1-methoxy-2-methylcyclopropan-1-amine is CCC1(C)CC1(NC(C)(C)C)OC.
What is the InChIKey of N-tert-butyl-2-ethyl-1-methoxy-2-methylcyclopropan-1-amine?
The InChIKey is LYRFUDGWPNONFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-7-10(5)8-11(10,13-6)12-9(2,3)4/h12H,7-8H2,1-6H3.
What are the key properties of N-tert-butyl-2-ethyl-1-methoxy-2-methylcyclopropan-1-amine?
N-tert-butyl-2-ethyl-1-methoxy-2-methylcyclopropan-1-amine has a molecular weight of 185.31 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-ethyl-1-methoxy-2-methylcyclopropan-1-amine is sourced from PubChem (CID 10487773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).