2-benzyl-N-tert-butyl-2-ethyl-1-methoxycyclopropan-1-amine

C17H27NO — CID 134907584

IUPAC2-benzyl-N-tert-butyl-2-ethyl-1-methoxycyclopropan-1-amine
SMILESCCC1(Cc2ccccc2)CC1(NC(C)(C)C)OC
InChIInChI=1S/C17H27NO/c1-6-16(12-14-10-8-7-9-11-14)13-17(16,19-5)18-15(2,3)4/h7-11,18H,6,12-13H2,1-5H3
InChIKeyFBPLQZTZWHOFNY-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.76
Rot. Bonds5

About 2-benzyl-N-tert-butyl-2-ethyl-1-methoxycyclopropan-1-amine

2-benzyl-N-tert-butyl-2-ethyl-1-methoxycyclopropan-1-amine (PubChem CID 134907584) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-benzyl-N-tert-butyl-2-ethyl-1-methoxycyclopropan-1-amine.

Molecular Properties

Compound Name2-benzyl-N-tert-butyl-2-ethyl-1-methoxycyclopropan-1-amine
PubChem CID134907584
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2-benzyl-N-tert-butyl-2-ethyl-1-methoxycyclopropan-1-amine
SMILESCCC1(Cc2ccccc2)CC1(NC(C)(C)C)OC
InChIInChI=1S/C17H27NO/c1-6-16(12-14-10-8-7-9-11-14)13-17(16,19-5)18-15(2,3)4/h7-11,18H,6,12-13H2,1-5H3
InChIKeyFBPLQZTZWHOFNY-UHFFFAOYSA-N
XLogP3.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.76
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 2-benzyl-N-tert-butyl-2-ethyl-1-methoxycyclopropan-1-amine?
The IUPAC name of 2-benzyl-N-tert-butyl-2-ethyl-1-methoxycyclopropan-1-amine (CID 134907584) is 2-benzyl-N-tert-butyl-2-ethyl-1-methoxycyclopropan-1-amine.
What is the SMILES notation for 2-benzyl-N-tert-butyl-2-ethyl-1-methoxycyclopropan-1-amine?
The canonical SMILES for 2-benzyl-N-tert-butyl-2-ethyl-1-methoxycyclopropan-1-amine is CCC1(Cc2ccccc2)CC1(NC(C)(C)C)OC.
What is the InChIKey of 2-benzyl-N-tert-butyl-2-ethyl-1-methoxycyclopropan-1-amine?
The InChIKey is FBPLQZTZWHOFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-6-16(12-14-10-8-7-9-11-14)13-17(16,19-5)18-15(2,3)4/h7-11,18H,6,12-13H2,1-5H3.
What are the key properties of 2-benzyl-N-tert-butyl-2-ethyl-1-methoxycyclopropan-1-amine?
2-benzyl-N-tert-butyl-2-ethyl-1-methoxycyclopropan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-tert-butyl-2-ethyl-1-methoxycyclopropan-1-amine is sourced from PubChem (CID 134907584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).