4-[(1S,2R)-2-aminocyclopropyl]-N-tert-butylaniline

C13H20N2 — CID 167361054

IUPAC4-[(1S,2R)-2-aminocyclopropyl]-N-tert-butylaniline
SMILESCC(C)(C)Nc1ccc([C@@H]2C[C@H]2N)cc1
InChIInChI=1S/C13H20N2/c1-13(2,3)15-10-6-4-9(5-7-10)11-8-12(11)14/h4-7,11-12,15H,8,14H2,1-3H3/t11-,12+/m0/s1
InChIKeyXHCJQVOSLGNRGW-NWDGAFQWSA-N
MW204.32 g/mol
LogP2.71
Rot. Bonds2

About 4-[(1S,2R)-2-aminocyclopropyl]-N-tert-butylaniline

4-[(1S,2R)-2-aminocyclopropyl]-N-tert-butylaniline (PubChem CID 167361054) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 4-[(1S,2R)-2-aminocyclopropyl]-N-tert-butylaniline.

Molecular Properties

Compound Name4-[(1S,2R)-2-aminocyclopropyl]-N-tert-butylaniline
PubChem CID167361054
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name4-[(1S,2R)-2-aminocyclopropyl]-N-tert-butylaniline
SMILESCC(C)(C)Nc1ccc([C@@H]2C[C@H]2N)cc1
InChIInChI=1S/C13H20N2/c1-13(2,3)15-10-6-4-9(5-7-10)11-8-12(11)14/h4-7,11-12,15H,8,14H2,1-3H3/t11-,12+/m0/s1
InChIKeyXHCJQVOSLGNRGW-NWDGAFQWSA-N
XLogP2.71
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(1S,2R)-2-aminocyclopropyl]-N-tert-butylaniline?
The IUPAC name of 4-[(1S,2R)-2-aminocyclopropyl]-N-tert-butylaniline (CID 167361054) is 4-[(1S,2R)-2-aminocyclopropyl]-N-tert-butylaniline.
What is the SMILES notation for 4-[(1S,2R)-2-aminocyclopropyl]-N-tert-butylaniline?
The canonical SMILES for 4-[(1S,2R)-2-aminocyclopropyl]-N-tert-butylaniline is CC(C)(C)Nc1ccc([C@@H]2C[C@H]2N)cc1.
What is the InChIKey of 4-[(1S,2R)-2-aminocyclopropyl]-N-tert-butylaniline?
The InChIKey is XHCJQVOSLGNRGW-NWDGAFQWSA-N. The full InChI is InChI=1S/C13H20N2/c1-13(2,3)15-10-6-4-9(5-7-10)11-8-12(11)14/h4-7,11-12,15H,8,14H2,1-3H3/t11-,12+/m0/s1.
What are the key properties of 4-[(1S,2R)-2-aminocyclopropyl]-N-tert-butylaniline?
4-[(1S,2R)-2-aminocyclopropyl]-N-tert-butylaniline has a molecular weight of 204.32 g/mol, XLogP of 2.71, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S,2R)-2-aminocyclopropyl]-N-tert-butylaniline is sourced from PubChem (CID 167361054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).