N-[(5,8-dimethylspiro[2.5]octan-2-yl)methyl]-2-methylpropan-2-amine

C15H29N — CID 64755848

IUPACN-[(5,8-dimethylspiro[2.5]octan-2-yl)methyl]-2-methylpropan-2-amine
SMILESCC1CCC(C)C2(C1)CC2CNC(C)(C)C
InChIInChI=1S/C15H29N/c1-11-6-7-12(2)15(8-11)9-13(15)10-16-14(3,4)5/h11-13,16H,6-10H2,1-5H3
InChIKeyOQELITDBMLAWIX-UHFFFAOYSA-N
MW223.40 g/mol
LogP3.84
Rot. Bonds2

About N-[(5,8-dimethylspiro[2.5]octan-2-yl)methyl]-2-methylpropan-2-amine

N-[(5,8-dimethylspiro[2.5]octan-2-yl)methyl]-2-methylpropan-2-amine (PubChem CID 64755848) has the molecular formula C15H29N and a molecular weight of 223.40 g/mol. Its IUPAC name is N-[(5,8-dimethylspiro[2.5]octan-2-yl)methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(5,8-dimethylspiro[2.5]octan-2-yl)methyl]-2-methylpropan-2-amine
PubChem CID64755848
Molecular FormulaC15H29N
Molecular Weight223.40 g/mol
Exact Mass223.23
IUPAC NameN-[(5,8-dimethylspiro[2.5]octan-2-yl)methyl]-2-methylpropan-2-amine
SMILESCC1CCC(C)C2(C1)CC2CNC(C)(C)C
InChIInChI=1S/C15H29N/c1-11-6-7-12(2)15(8-11)9-13(15)10-16-14(3,4)5/h11-13,16H,6-10H2,1-5H3
InChIKeyOQELITDBMLAWIX-UHFFFAOYSA-N
XLogP3.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.40
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(5,8-dimethylspiro[2.5]octan-2-yl)methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(5,8-dimethylspiro[2.5]octan-2-yl)methyl]-2-methylpropan-2-amine (CID 64755848) is N-[(5,8-dimethylspiro[2.5]octan-2-yl)methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(5,8-dimethylspiro[2.5]octan-2-yl)methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(5,8-dimethylspiro[2.5]octan-2-yl)methyl]-2-methylpropan-2-amine is CC1CCC(C)C2(C1)CC2CNC(C)(C)C.
What is the InChIKey of N-[(5,8-dimethylspiro[2.5]octan-2-yl)methyl]-2-methylpropan-2-amine?
The InChIKey is OQELITDBMLAWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N/c1-11-6-7-12(2)15(8-11)9-13(15)10-16-14(3,4)5/h11-13,16H,6-10H2,1-5H3.
What are the key properties of N-[(5,8-dimethylspiro[2.5]octan-2-yl)methyl]-2-methylpropan-2-amine?
N-[(5,8-dimethylspiro[2.5]octan-2-yl)methyl]-2-methylpropan-2-amine has a molecular weight of 223.40 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5,8-dimethylspiro[2.5]octan-2-yl)methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 64755848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).