(1S,5R)-N-[(1R)-2-phenylcyclopropyl]-3-azabicyclo[3.1.1]heptan-6-amine

C15H20N2 — CID 129290812

IUPAC(1S,5R)-N-[(1R)-2-phenylcyclopropyl]-3-azabicyclo[3.1.1]heptan-6-amine
SMILESc1ccc(C2C[C@H]2NC2[C@@H]3CNC[C@H]2C3)cc1
InChIInChI=1S/C15H20N2/c1-2-4-10(5-3-1)13-7-14(13)17-15-11-6-12(15)9-16-8-11/h1-5,11-17H,6-9H2/t11-,12+,13?,14-,15?/m1/s1
InChIKeyXTJVFLPSLPEYQZ-VGVBULKLSA-N
MW228.34 g/mol
LogP1.74
Rot. Bonds3

About (1S,5R)-N-[(1R)-2-phenylcyclopropyl]-3-azabicyclo[3.1.1]heptan-6-amine

(1S,5R)-N-[(1R)-2-phenylcyclopropyl]-3-azabicyclo[3.1.1]heptan-6-amine (PubChem CID 129290812) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is (1S,5R)-N-[(1R)-2-phenylcyclopropyl]-3-azabicyclo[3.1.1]heptan-6-amine.

Molecular Properties

Compound Name(1S,5R)-N-[(1R)-2-phenylcyclopropyl]-3-azabicyclo[3.1.1]heptan-6-amine
PubChem CID129290812
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name(1S,5R)-N-[(1R)-2-phenylcyclopropyl]-3-azabicyclo[3.1.1]heptan-6-amine
SMILESc1ccc(C2C[C@H]2NC2[C@@H]3CNC[C@H]2C3)cc1
InChIInChI=1S/C15H20N2/c1-2-4-10(5-3-1)13-7-14(13)17-15-11-6-12(15)9-16-8-11/h1-5,11-17H,6-9H2/t11-,12+,13?,14-,15?/m1/s1
InChIKeyXTJVFLPSLPEYQZ-VGVBULKLSA-N
XLogP1.74
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-N-[(1R)-2-phenylcyclopropyl]-3-azabicyclo[3.1.1]heptan-6-amine?
The IUPAC name of (1S,5R)-N-[(1R)-2-phenylcyclopropyl]-3-azabicyclo[3.1.1]heptan-6-amine (CID 129290812) is (1S,5R)-N-[(1R)-2-phenylcyclopropyl]-3-azabicyclo[3.1.1]heptan-6-amine.
What is the SMILES notation for (1S,5R)-N-[(1R)-2-phenylcyclopropyl]-3-azabicyclo[3.1.1]heptan-6-amine?
The canonical SMILES for (1S,5R)-N-[(1R)-2-phenylcyclopropyl]-3-azabicyclo[3.1.1]heptan-6-amine is c1ccc(C2C[C@H]2NC2[C@@H]3CNC[C@H]2C3)cc1.
What is the InChIKey of (1S,5R)-N-[(1R)-2-phenylcyclopropyl]-3-azabicyclo[3.1.1]heptan-6-amine?
The InChIKey is XTJVFLPSLPEYQZ-VGVBULKLSA-N. The full InChI is InChI=1S/C15H20N2/c1-2-4-10(5-3-1)13-7-14(13)17-15-11-6-12(15)9-16-8-11/h1-5,11-17H,6-9H2/t11-,12+,13?,14-,15?/m1/s1.
What are the key properties of (1S,5R)-N-[(1R)-2-phenylcyclopropyl]-3-azabicyclo[3.1.1]heptan-6-amine?
(1S,5R)-N-[(1R)-2-phenylcyclopropyl]-3-azabicyclo[3.1.1]heptan-6-amine has a molecular weight of 228.34 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-N-[(1R)-2-phenylcyclopropyl]-3-azabicyclo[3.1.1]heptan-6-amine is sourced from PubChem (CID 129290812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).