6-benzylspiro[3.3]heptan-2-amine

C14H19N — CID 164574209

IUPAC6-benzylspiro[3.3]heptan-2-amine
SMILESNC1CC2(C1)CC(Cc1ccccc1)C2
InChIInChI=1S/C14H19N/c15-13-9-14(10-13)7-12(8-14)6-11-4-2-1-3-5-11/h1-5,12-13H,6-10,15H2
InChIKeyPIMWBVLHRNSLML-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.75
Rot. Bonds2

About 6-benzylspiro[3.3]heptan-2-amine

6-benzylspiro[3.3]heptan-2-amine (PubChem CID 164574209) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is 6-benzylspiro[3.3]heptan-2-amine.

Molecular Properties

Compound Name6-benzylspiro[3.3]heptan-2-amine
PubChem CID164574209
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name6-benzylspiro[3.3]heptan-2-amine
SMILESNC1CC2(C1)CC(Cc1ccccc1)C2
InChIInChI=1S/C14H19N/c15-13-9-14(10-13)7-12(8-14)6-11-4-2-1-3-5-11/h1-5,12-13H,6-10,15H2
InChIKeyPIMWBVLHRNSLML-UHFFFAOYSA-N
XLogP2.75
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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4-benzylphosphinane
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ethyl 2,5-dibenzyl-6a-methyl-1,2,3,4,5,6-hexahydropentalene-3a-carboxylate
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Frequently Asked Questions

What is the IUPAC name of 6-benzylspiro[3.3]heptan-2-amine?
The IUPAC name of 6-benzylspiro[3.3]heptan-2-amine (CID 164574209) is 6-benzylspiro[3.3]heptan-2-amine.
What is the SMILES notation for 6-benzylspiro[3.3]heptan-2-amine?
The canonical SMILES for 6-benzylspiro[3.3]heptan-2-amine is NC1CC2(C1)CC(Cc1ccccc1)C2.
What is the InChIKey of 6-benzylspiro[3.3]heptan-2-amine?
The InChIKey is PIMWBVLHRNSLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N/c15-13-9-14(10-13)7-12(8-14)6-11-4-2-1-3-5-11/h1-5,12-13H,6-10,15H2.
What are the key properties of 6-benzylspiro[3.3]heptan-2-amine?
6-benzylspiro[3.3]heptan-2-amine has a molecular weight of 201.31 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzylspiro[3.3]heptan-2-amine is sourced from PubChem (CID 164574209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).