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

C13H27NO — CID 134975949

IUPACN-tert-butyl-2-ethyl-1-methoxy-2-propylcyclopropan-1-amine
SMILESCCCC1(CC)CC1(NC(C)(C)C)OC
InChIInChI=1S/C13H27NO/c1-7-9-12(8-2)10-13(12,15-6)14-11(3,4)5/h14H,7-10H2,1-6H3
InChIKeySKJKPVDSBSMAOY-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.32
Rot. Bonds5

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

N-tert-butyl-2-ethyl-1-methoxy-2-propylcyclopropan-1-amine (PubChem CID 134975949) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is N-tert-butyl-2-ethyl-1-methoxy-2-propylcyclopropan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-ethyl-1-methoxy-2-propylcyclopropan-1-amine
PubChem CID134975949
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC NameN-tert-butyl-2-ethyl-1-methoxy-2-propylcyclopropan-1-amine
SMILESCCCC1(CC)CC1(NC(C)(C)C)OC
InChIInChI=1S/C13H27NO/c1-7-9-12(8-2)10-13(12,15-6)14-11(3,4)5/h14H,7-10H2,1-6H3
InChIKeySKJKPVDSBSMAOY-UHFFFAOYSA-N
XLogP3.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.32
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-2-ethyl-1-methoxy-2-propylcyclopropan-1-amine?
The IUPAC name of N-tert-butyl-2-ethyl-1-methoxy-2-propylcyclopropan-1-amine (CID 134975949) is N-tert-butyl-2-ethyl-1-methoxy-2-propylcyclopropan-1-amine.
What is the SMILES notation for N-tert-butyl-2-ethyl-1-methoxy-2-propylcyclopropan-1-amine?
The canonical SMILES for N-tert-butyl-2-ethyl-1-methoxy-2-propylcyclopropan-1-amine is CCCC1(CC)CC1(NC(C)(C)C)OC.
What is the InChIKey of N-tert-butyl-2-ethyl-1-methoxy-2-propylcyclopropan-1-amine?
The InChIKey is SKJKPVDSBSMAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-7-9-12(8-2)10-13(12,15-6)14-11(3,4)5/h14H,7-10H2,1-6H3.
What are the key properties of N-tert-butyl-2-ethyl-1-methoxy-2-propylcyclopropan-1-amine?
N-tert-butyl-2-ethyl-1-methoxy-2-propylcyclopropan-1-amine has a molecular weight of 213.36 g/mol, XLogP of 3.32, 5 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-propylcyclopropan-1-amine is sourced from PubChem (CID 134975949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).