(4R,6R,10R)-4-tert-butyl-6-phenylspiro[bicyclo[4.3.1]decane-10,2'-oxirane]-1-amine

C21H31NO — CID 102483762

IUPAC(4R,6R,10R)-4-tert-butyl-6-phenylspiro[bicyclo[4.3.1]decane-10,2'-oxirane]-1-amine
SMILESCC(C)(C)[C@@H]1CCC2(N)CCC[C@](c3ccccc3)(C1)[C@]21CO1
InChIInChI=1S/C21H31NO/c1-18(2,3)17-10-13-20(22)12-7-11-19(14-17,21(20)15-23-21)16-8-5-4-6-9-16/h4-6,8-9,17H,7,10-15,22H2,1-3H3/t17-,19-,20?,21-/m1/s1
InChIKeyGLVCXADLWOUFRL-QKNTZHCYSA-N
MW313.49 g/mol
LogP4.42
Rot. Bonds1

About (4R,6R,10R)-4-tert-butyl-6-phenylspiro[bicyclo[4.3.1]decane-10,2'-oxirane]-1-amine

(4R,6R,10R)-4-tert-butyl-6-phenylspiro[bicyclo[4.3.1]decane-10,2'-oxirane]-1-amine (PubChem CID 102483762) has the molecular formula C21H31NO and a molecular weight of 313.49 g/mol. Its IUPAC name is (4R,6R,10R)-4-tert-butyl-6-phenylspiro[bicyclo[4.3.1]decane-10,2'-oxirane]-1-amine.

Molecular Properties

Compound Name(4R,6R,10R)-4-tert-butyl-6-phenylspiro[bicyclo[4.3.1]decane-10,2'-oxirane]-1-amine
PubChem CID102483762
Molecular FormulaC21H31NO
Molecular Weight313.49 g/mol
Exact Mass313.24
IUPAC Name(4R,6R,10R)-4-tert-butyl-6-phenylspiro[bicyclo[4.3.1]decane-10,2'-oxirane]-1-amine
SMILESCC(C)(C)[C@@H]1CCC2(N)CCC[C@](c3ccccc3)(C1)[C@]21CO1
InChIInChI=1S/C21H31NO/c1-18(2,3)17-10-13-20(22)12-7-11-19(14-17,21(20)15-23-21)16-8-5-4-6-9-16/h4-6,8-9,17H,7,10-15,22H2,1-3H3/t17-,19-,20?,21-/m1/s1
InChIKeyGLVCXADLWOUFRL-QKNTZHCYSA-N
XLogP4.42
TPSA38.55 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.49
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze (4R,6R,10R)-4-tert-butyl-6-phenylspiro[bicyclo[4.3.1]decane-10,2'-oxirane]-1-amine with MolForge

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Related Compounds

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3-tert-butyl-1-diphenylsilyloxycyclopentan-1-ol
CID 173251163
(1S,2S,4R)-4-tert-butyl-1-phenylcyclohexane-1,2-diol
CID 101134150
4-tert-butyl-1-(furan-2-ylmethyl)cyclohexan-1-amine
CID 65020416
4-tert-butyl-1-pyridin-3-ylcyclohexan-1-amine
CID 54861250
1-[4-(4-tert-butylcyclohexyl)phenyl]cyclobutan-1-amine
CID 117460035
3-tert-butyl-1-methylcyclohexan-1-ol;chlorobenzene
CID 165136328
4-tert-butyl-1-(3-phenylpropyl)cycloheptan-1-amine
CID 65090155
4-methyl-1-phenylcyclohexan-1-amine;hydrochloride
CID 45259718
1-(4-phenyloxan-4-yl)cyclopropan-1-amine
CID 63082911

Frequently Asked Questions

What is the IUPAC name of (4R,6R,10R)-4-tert-butyl-6-phenylspiro[bicyclo[4.3.1]decane-10,2'-oxirane]-1-amine?
The IUPAC name of (4R,6R,10R)-4-tert-butyl-6-phenylspiro[bicyclo[4.3.1]decane-10,2'-oxirane]-1-amine (CID 102483762) is (4R,6R,10R)-4-tert-butyl-6-phenylspiro[bicyclo[4.3.1]decane-10,2'-oxirane]-1-amine.
What is the SMILES notation for (4R,6R,10R)-4-tert-butyl-6-phenylspiro[bicyclo[4.3.1]decane-10,2'-oxirane]-1-amine?
The canonical SMILES for (4R,6R,10R)-4-tert-butyl-6-phenylspiro[bicyclo[4.3.1]decane-10,2'-oxirane]-1-amine is CC(C)(C)[C@@H]1CCC2(N)CCC[C@](c3ccccc3)(C1)[C@]21CO1.
What is the InChIKey of (4R,6R,10R)-4-tert-butyl-6-phenylspiro[bicyclo[4.3.1]decane-10,2'-oxirane]-1-amine?
The InChIKey is GLVCXADLWOUFRL-QKNTZHCYSA-N. The full InChI is InChI=1S/C21H31NO/c1-18(2,3)17-10-13-20(22)12-7-11-19(14-17,21(20)15-23-21)16-8-5-4-6-9-16/h4-6,8-9,17H,7,10-15,22H2,1-3H3/t17-,19-,20?,21-/m1/s1.
What are the key properties of (4R,6R,10R)-4-tert-butyl-6-phenylspiro[bicyclo[4.3.1]decane-10,2'-oxirane]-1-amine?
(4R,6R,10R)-4-tert-butyl-6-phenylspiro[bicyclo[4.3.1]decane-10,2'-oxirane]-1-amine has a molecular weight of 313.49 g/mol, XLogP of 4.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6R,10R)-4-tert-butyl-6-phenylspiro[bicyclo[4.3.1]decane-10,2'-oxirane]-1-amine is sourced from PubChem (CID 102483762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).