(8R)-4,7-dimethyl-2-prop-1-ynyl-4-azaspiro[2.5]oct-5-en-8-amine

C12H18N2 — CID 139541756

IUPAC(8R)-4,7-dimethyl-2-prop-1-ynyl-4-azaspiro[2.5]oct-5-en-8-amine
SMILESCC#CC1CC12[C@H](N)C(C)C=CN2C
InChIInChI=1S/C12H18N2/c1-4-5-10-8-12(10)11(13)9(2)6-7-14(12)3/h6-7,9-11H,8,13H2,1-3H3/t9?,10?,11-,12?/m1/s1
InChIKeyCMLPTQISUAKYLH-QDLLBCNESA-N
MW190.29 g/mol
LogP1.19
Rot. Bonds

About (8R)-4,7-dimethyl-2-prop-1-ynyl-4-azaspiro[2.5]oct-5-en-8-amine

(8R)-4,7-dimethyl-2-prop-1-ynyl-4-azaspiro[2.5]oct-5-en-8-amine (PubChem CID 139541756) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is (8R)-4,7-dimethyl-2-prop-1-ynyl-4-azaspiro[2.5]oct-5-en-8-amine.

Molecular Properties

Compound Name(8R)-4,7-dimethyl-2-prop-1-ynyl-4-azaspiro[2.5]oct-5-en-8-amine
PubChem CID139541756
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name(8R)-4,7-dimethyl-2-prop-1-ynyl-4-azaspiro[2.5]oct-5-en-8-amine
SMILESCC#CC1CC12[C@H](N)C(C)C=CN2C
InChIInChI=1S/C12H18N2/c1-4-5-10-8-12(10)11(13)9(2)6-7-14(12)3/h6-7,9-11H,8,13H2,1-3H3/t9?,10?,11-,12?/m1/s1
InChIKeyCMLPTQISUAKYLH-QDLLBCNESA-N
XLogP1.19
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (8R)-4,7-dimethyl-2-prop-1-ynyl-4-azaspiro[2.5]oct-5-en-8-amine?
The IUPAC name of (8R)-4,7-dimethyl-2-prop-1-ynyl-4-azaspiro[2.5]oct-5-en-8-amine (CID 139541756) is (8R)-4,7-dimethyl-2-prop-1-ynyl-4-azaspiro[2.5]oct-5-en-8-amine.
What is the SMILES notation for (8R)-4,7-dimethyl-2-prop-1-ynyl-4-azaspiro[2.5]oct-5-en-8-amine?
The canonical SMILES for (8R)-4,7-dimethyl-2-prop-1-ynyl-4-azaspiro[2.5]oct-5-en-8-amine is CC#CC1CC12[C@H](N)C(C)C=CN2C.
What is the InChIKey of (8R)-4,7-dimethyl-2-prop-1-ynyl-4-azaspiro[2.5]oct-5-en-8-amine?
The InChIKey is CMLPTQISUAKYLH-QDLLBCNESA-N. The full InChI is InChI=1S/C12H18N2/c1-4-5-10-8-12(10)11(13)9(2)6-7-14(12)3/h6-7,9-11H,8,13H2,1-3H3/t9?,10?,11-,12?/m1/s1.
What are the key properties of (8R)-4,7-dimethyl-2-prop-1-ynyl-4-azaspiro[2.5]oct-5-en-8-amine?
(8R)-4,7-dimethyl-2-prop-1-ynyl-4-azaspiro[2.5]oct-5-en-8-amine has a molecular weight of 190.29 g/mol, XLogP of 1.19, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-4,7-dimethyl-2-prop-1-ynyl-4-azaspiro[2.5]oct-5-en-8-amine is sourced from PubChem (CID 139541756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).