trans-(1S,2R)-N-benzyl-2-tert-butylcyclopropan-1-amine

C14H21N — CID 174043100

IUPACtrans-(1S,2R)-N-benzyl-2-tert-butylcyclopropan-1-amine
SMILESCC(C)(C)[C@H]1C[C@@H]1NCc1ccccc1
InChIInChI=1S/C14H21N/c1-14(2,3)12-9-13(12)15-10-11-7-5-4-6-8-11/h4-8,12-13,15H,9-10H2,1-3H3/t12-,13-/m0/s1
InChIKeyKYPXNGWOYPZFSF-STQMWFEESA-N
MW203.33 g/mol
LogP3.21
Rot. Bonds3

About trans-(1S,2R)-N-benzyl-2-tert-butylcyclopropan-1-amine

trans-(1S,2R)-N-benzyl-2-tert-butylcyclopropan-1-amine (PubChem CID 174043100) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is trans-(1S,2R)-N-benzyl-2-tert-butylcyclopropan-1-amine.

Molecular Properties

Compound Nametrans-(1S,2R)-N-benzyl-2-tert-butylcyclopropan-1-amine
PubChem CID174043100
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Nametrans-(1S,2R)-N-benzyl-2-tert-butylcyclopropan-1-amine
SMILESCC(C)(C)[C@H]1C[C@@H]1NCc1ccccc1
InChIInChI=1S/C14H21N/c1-14(2,3)12-9-13(12)15-10-11-7-5-4-6-8-11/h4-8,12-13,15H,9-10H2,1-3H3/t12-,13-/m0/s1
InChIKeyKYPXNGWOYPZFSF-STQMWFEESA-N
XLogP3.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-N-benzyl-2-tert-butylcyclopropan-1-amine?
The IUPAC name of trans-(1S,2R)-N-benzyl-2-tert-butylcyclopropan-1-amine (CID 174043100) is trans-(1S,2R)-N-benzyl-2-tert-butylcyclopropan-1-amine.
What is the SMILES notation for trans-(1S,2R)-N-benzyl-2-tert-butylcyclopropan-1-amine?
The canonical SMILES for trans-(1S,2R)-N-benzyl-2-tert-butylcyclopropan-1-amine is CC(C)(C)[C@H]1C[C@@H]1NCc1ccccc1.
What is the InChIKey of trans-(1S,2R)-N-benzyl-2-tert-butylcyclopropan-1-amine?
The InChIKey is KYPXNGWOYPZFSF-STQMWFEESA-N. The full InChI is InChI=1S/C14H21N/c1-14(2,3)12-9-13(12)15-10-11-7-5-4-6-8-11/h4-8,12-13,15H,9-10H2,1-3H3/t12-,13-/m0/s1.
What are the key properties of trans-(1S,2R)-N-benzyl-2-tert-butylcyclopropan-1-amine?
trans-(1S,2R)-N-benzyl-2-tert-butylcyclopropan-1-amine has a molecular weight of 203.33 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-N-benzyl-2-tert-butylcyclopropan-1-amine is sourced from PubChem (CID 174043100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).