trans-(1S,3R)-3-(1-ethylcyclobutyl)-2,2-dimethylcyclopropan-1-amine

C11H21N — CID 178197811

IUPACtrans-(1S,3R)-3-(1-ethylcyclobutyl)-2,2-dimethylcyclopropan-1-amine
SMILESCCC1([C@H]2[C@H](N)C2(C)C)CCC1
InChIInChI=1S/C11H21N/c1-4-11(6-5-7-11)8-9(12)10(8,2)3/h8-9H,4-7,12H2,1-3H3/t8-,9-/m0/s1
InChIKeyKQSMBWCNEHZQCN-IUCAKERBSA-N
MW167.30 g/mol
LogP2.55
Rot. Bonds2

About trans-(1S,3R)-3-(1-ethylcyclobutyl)-2,2-dimethylcyclopropan-1-amine

trans-(1S,3R)-3-(1-ethylcyclobutyl)-2,2-dimethylcyclopropan-1-amine (PubChem CID 178197811) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is trans-(1S,3R)-3-(1-ethylcyclobutyl)-2,2-dimethylcyclopropan-1-amine.

Molecular Properties

Compound Nametrans-(1S,3R)-3-(1-ethylcyclobutyl)-2,2-dimethylcyclopropan-1-amine
PubChem CID178197811
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Nametrans-(1S,3R)-3-(1-ethylcyclobutyl)-2,2-dimethylcyclopropan-1-amine
SMILESCCC1([C@H]2[C@H](N)C2(C)C)CCC1
InChIInChI=1S/C11H21N/c1-4-11(6-5-7-11)8-9(12)10(8,2)3/h8-9H,4-7,12H2,1-3H3/t8-,9-/m0/s1
InChIKeyKQSMBWCNEHZQCN-IUCAKERBSA-N
XLogP2.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,3R)-3-(1-ethylcyclobutyl)-2,2-dimethylcyclopropan-1-amine?
The IUPAC name of trans-(1S,3R)-3-(1-ethylcyclobutyl)-2,2-dimethylcyclopropan-1-amine (CID 178197811) is trans-(1S,3R)-3-(1-ethylcyclobutyl)-2,2-dimethylcyclopropan-1-amine.
What is the SMILES notation for trans-(1S,3R)-3-(1-ethylcyclobutyl)-2,2-dimethylcyclopropan-1-amine?
The canonical SMILES for trans-(1S,3R)-3-(1-ethylcyclobutyl)-2,2-dimethylcyclopropan-1-amine is CCC1([C@H]2[C@H](N)C2(C)C)CCC1.
What is the InChIKey of trans-(1S,3R)-3-(1-ethylcyclobutyl)-2,2-dimethylcyclopropan-1-amine?
The InChIKey is KQSMBWCNEHZQCN-IUCAKERBSA-N. The full InChI is InChI=1S/C11H21N/c1-4-11(6-5-7-11)8-9(12)10(8,2)3/h8-9H,4-7,12H2,1-3H3/t8-,9-/m0/s1.
What are the key properties of trans-(1S,3R)-3-(1-ethylcyclobutyl)-2,2-dimethylcyclopropan-1-amine?
trans-(1S,3R)-3-(1-ethylcyclobutyl)-2,2-dimethylcyclopropan-1-amine has a molecular weight of 167.30 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3R)-3-(1-ethylcyclobutyl)-2,2-dimethylcyclopropan-1-amine is sourced from PubChem (CID 178197811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).