N-tert-butyl-1-methoxy-2,2-dimethylcyclopropan-1-amine

C10H21NO — CID 14069605

IUPACN-tert-butyl-1-methoxy-2,2-dimethylcyclopropan-1-amine
SMILESCOC1(NC(C)(C)C)CC1(C)C
InChIInChI=1S/C10H21NO/c1-8(2,3)11-10(12-6)7-9(10,4)5/h11H,7H2,1-6H3
InChIKeyORXYJFUDCAAAAC-UHFFFAOYSA-N
MW171.28 g/mol
LogP2.15
Rot. Bonds2

About N-tert-butyl-1-methoxy-2,2-dimethylcyclopropan-1-amine

N-tert-butyl-1-methoxy-2,2-dimethylcyclopropan-1-amine (PubChem CID 14069605) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is N-tert-butyl-1-methoxy-2,2-dimethylcyclopropan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-1-methoxy-2,2-dimethylcyclopropan-1-amine
PubChem CID14069605
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC NameN-tert-butyl-1-methoxy-2,2-dimethylcyclopropan-1-amine
SMILESCOC1(NC(C)(C)C)CC1(C)C
InChIInChI=1S/C10H21NO/c1-8(2,3)11-10(12-6)7-9(10,4)5/h11H,7H2,1-6H3
InChIKeyORXYJFUDCAAAAC-UHFFFAOYSA-N
XLogP2.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.15
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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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-methoxy-2,2-dimethylcyclopropan-1-amine?
The IUPAC name of N-tert-butyl-1-methoxy-2,2-dimethylcyclopropan-1-amine (CID 14069605) is N-tert-butyl-1-methoxy-2,2-dimethylcyclopropan-1-amine.
What is the SMILES notation for N-tert-butyl-1-methoxy-2,2-dimethylcyclopropan-1-amine?
The canonical SMILES for N-tert-butyl-1-methoxy-2,2-dimethylcyclopropan-1-amine is COC1(NC(C)(C)C)CC1(C)C.
What is the InChIKey of N-tert-butyl-1-methoxy-2,2-dimethylcyclopropan-1-amine?
The InChIKey is ORXYJFUDCAAAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-8(2,3)11-10(12-6)7-9(10,4)5/h11H,7H2,1-6H3.
What are the key properties of N-tert-butyl-1-methoxy-2,2-dimethylcyclopropan-1-amine?
N-tert-butyl-1-methoxy-2,2-dimethylcyclopropan-1-amine has a molecular weight of 171.28 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-methoxy-2,2-dimethylcyclopropan-1-amine is sourced from PubChem (CID 14069605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).