[(7S)-7-ethyl-2,3-dimethylspiro[3.3]heptan-7-yl]methanamine

C12H23N — CID 89070130

IUPAC[(7S)-7-ethyl-2,3-dimethylspiro[3.3]heptan-7-yl]methanamine
SMILESCC[C@]1(CN)CCC12CC(C)C2C
InChIInChI=1S/C12H23N/c1-4-11(8-13)5-6-12(11)7-9(2)10(12)3/h9-10H,4-8,13H2,1-3H3/t9?,10?,11-,12?/m1/s1
InChIKeyHOGVRPLWHQTNHK-QDLLBCNESA-N
MW181.32 g/mol
LogP2.80
Rot. Bonds2

About [(7S)-7-ethyl-2,3-dimethylspiro[3.3]heptan-7-yl]methanamine

[(7S)-7-ethyl-2,3-dimethylspiro[3.3]heptan-7-yl]methanamine (PubChem CID 89070130) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is [(7S)-7-ethyl-2,3-dimethylspiro[3.3]heptan-7-yl]methanamine.

Molecular Properties

Compound Name[(7S)-7-ethyl-2,3-dimethylspiro[3.3]heptan-7-yl]methanamine
PubChem CID89070130
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name[(7S)-7-ethyl-2,3-dimethylspiro[3.3]heptan-7-yl]methanamine
SMILESCC[C@]1(CN)CCC12CC(C)C2C
InChIInChI=1S/C12H23N/c1-4-11(8-13)5-6-12(11)7-9(2)10(12)3/h9-10H,4-8,13H2,1-3H3/t9?,10?,11-,12?/m1/s1
InChIKeyHOGVRPLWHQTNHK-QDLLBCNESA-N
XLogP2.80
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(7S)-7-ethyl-2,3-dimethylspiro[3.3]heptan-7-yl]methanamine?
The IUPAC name of [(7S)-7-ethyl-2,3-dimethylspiro[3.3]heptan-7-yl]methanamine (CID 89070130) is [(7S)-7-ethyl-2,3-dimethylspiro[3.3]heptan-7-yl]methanamine.
What is the SMILES notation for [(7S)-7-ethyl-2,3-dimethylspiro[3.3]heptan-7-yl]methanamine?
The canonical SMILES for [(7S)-7-ethyl-2,3-dimethylspiro[3.3]heptan-7-yl]methanamine is CC[C@]1(CN)CCC12CC(C)C2C.
What is the InChIKey of [(7S)-7-ethyl-2,3-dimethylspiro[3.3]heptan-7-yl]methanamine?
The InChIKey is HOGVRPLWHQTNHK-QDLLBCNESA-N. The full InChI is InChI=1S/C12H23N/c1-4-11(8-13)5-6-12(11)7-9(2)10(12)3/h9-10H,4-8,13H2,1-3H3/t9?,10?,11-,12?/m1/s1.
What are the key properties of [(7S)-7-ethyl-2,3-dimethylspiro[3.3]heptan-7-yl]methanamine?
[(7S)-7-ethyl-2,3-dimethylspiro[3.3]heptan-7-yl]methanamine has a molecular weight of 181.32 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(7S)-7-ethyl-2,3-dimethylspiro[3.3]heptan-7-yl]methanamine is sourced from PubChem (CID 89070130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).