2-methyl-N-[(5,7,7-trimethylspiro[2.5]octan-2-yl)methyl]propan-2-amine

C16H31N — CID 63512650

IUPAC2-methyl-N-[(5,7,7-trimethylspiro[2.5]octan-2-yl)methyl]propan-2-amine
SMILESCC1CC(C)(C)CC2(C1)CC2CNC(C)(C)C
InChIInChI=1S/C16H31N/c1-12-7-15(5,6)11-16(8-12)9-13(16)10-17-14(2,3)4/h12-13,17H,7-11H2,1-6H3
InChIKeyBQEWVMVOFBYYJU-UHFFFAOYSA-N
MW237.43 g/mol
LogP4.23
Rot. Bonds2

About 2-methyl-N-[(5,7,7-trimethylspiro[2.5]octan-2-yl)methyl]propan-2-amine

2-methyl-N-[(5,7,7-trimethylspiro[2.5]octan-2-yl)methyl]propan-2-amine (PubChem CID 63512650) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is 2-methyl-N-[(5,7,7-trimethylspiro[2.5]octan-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[(5,7,7-trimethylspiro[2.5]octan-2-yl)methyl]propan-2-amine
PubChem CID63512650
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC Name2-methyl-N-[(5,7,7-trimethylspiro[2.5]octan-2-yl)methyl]propan-2-amine
SMILESCC1CC(C)(C)CC2(C1)CC2CNC(C)(C)C
InChIInChI=1S/C16H31N/c1-12-7-15(5,6)11-16(8-12)9-13(16)10-17-14(2,3)4/h12-13,17H,7-11H2,1-6H3
InChIKeyBQEWVMVOFBYYJU-UHFFFAOYSA-N
XLogP4.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.43
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(5,7,7-trimethylspiro[2.5]octan-2-yl)methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[(5,7,7-trimethylspiro[2.5]octan-2-yl)methyl]propan-2-amine (CID 63512650) is 2-methyl-N-[(5,7,7-trimethylspiro[2.5]octan-2-yl)methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[(5,7,7-trimethylspiro[2.5]octan-2-yl)methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[(5,7,7-trimethylspiro[2.5]octan-2-yl)methyl]propan-2-amine is CC1CC(C)(C)CC2(C1)CC2CNC(C)(C)C.
What is the InChIKey of 2-methyl-N-[(5,7,7-trimethylspiro[2.5]octan-2-yl)methyl]propan-2-amine?
The InChIKey is BQEWVMVOFBYYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N/c1-12-7-15(5,6)11-16(8-12)9-13(16)10-17-14(2,3)4/h12-13,17H,7-11H2,1-6H3.
What are the key properties of 2-methyl-N-[(5,7,7-trimethylspiro[2.5]octan-2-yl)methyl]propan-2-amine?
2-methyl-N-[(5,7,7-trimethylspiro[2.5]octan-2-yl)methyl]propan-2-amine has a molecular weight of 237.43 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(5,7,7-trimethylspiro[2.5]octan-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 63512650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).