N-tert-butyl-1-methoxy-2-methyl-2-propylcyclopropan-1-amine

C12H25NO — CID 134975781

IUPACN-tert-butyl-1-methoxy-2-methyl-2-propylcyclopropan-1-amine
SMILESCCCC1(C)CC1(NC(C)(C)C)OC
InChIInChI=1S/C12H25NO/c1-7-8-11(5)9-12(11,14-6)13-10(2,3)4/h13H,7-9H2,1-6H3
InChIKeyCTVSQWMSUQHMCQ-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.93
Rot. Bonds4

About N-tert-butyl-1-methoxy-2-methyl-2-propylcyclopropan-1-amine

N-tert-butyl-1-methoxy-2-methyl-2-propylcyclopropan-1-amine (PubChem CID 134975781) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is N-tert-butyl-1-methoxy-2-methyl-2-propylcyclopropan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-1-methoxy-2-methyl-2-propylcyclopropan-1-amine
PubChem CID134975781
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC NameN-tert-butyl-1-methoxy-2-methyl-2-propylcyclopropan-1-amine
SMILESCCCC1(C)CC1(NC(C)(C)C)OC
InChIInChI=1S/C12H25NO/c1-7-8-11(5)9-12(11,14-6)13-10(2,3)4/h13H,7-9H2,1-6H3
InChIKeyCTVSQWMSUQHMCQ-UHFFFAOYSA-N
XLogP2.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.93
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-methyl-2-propylcyclopropan-1-amine?
The IUPAC name of N-tert-butyl-1-methoxy-2-methyl-2-propylcyclopropan-1-amine (CID 134975781) is N-tert-butyl-1-methoxy-2-methyl-2-propylcyclopropan-1-amine.
What is the SMILES notation for N-tert-butyl-1-methoxy-2-methyl-2-propylcyclopropan-1-amine?
The canonical SMILES for N-tert-butyl-1-methoxy-2-methyl-2-propylcyclopropan-1-amine is CCCC1(C)CC1(NC(C)(C)C)OC.
What is the InChIKey of N-tert-butyl-1-methoxy-2-methyl-2-propylcyclopropan-1-amine?
The InChIKey is CTVSQWMSUQHMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-7-8-11(5)9-12(11,14-6)13-10(2,3)4/h13H,7-9H2,1-6H3.
What are the key properties of N-tert-butyl-1-methoxy-2-methyl-2-propylcyclopropan-1-amine?
N-tert-butyl-1-methoxy-2-methyl-2-propylcyclopropan-1-amine has a molecular weight of 199.34 g/mol, XLogP of 2.93, 4 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-methyl-2-propylcyclopropan-1-amine is sourced from PubChem (CID 134975781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).