N-methylspiro[5.6]dodecan-4-amine

C13H25N — CID 170362418

IUPACN-methylspiro[5.6]dodecan-4-amine
SMILESCNC1CCCC2(CCCCCC2)C1
InChIInChI=1S/C13H25N/c1-14-12-7-6-10-13(11-12)8-4-2-3-5-9-13/h12,14H,2-11H2,1H3
InChIKeyBKUUAQBVFNRWIB-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.49
Rot. Bonds1

About N-methylspiro[5.6]dodecan-4-amine

N-methylspiro[5.6]dodecan-4-amine (PubChem CID 170362418) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is N-methylspiro[5.6]dodecan-4-amine.

Molecular Properties

Compound NameN-methylspiro[5.6]dodecan-4-amine
PubChem CID170362418
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC NameN-methylspiro[5.6]dodecan-4-amine
SMILESCNC1CCCC2(CCCCCC2)C1
InChIInChI=1S/C13H25N/c1-14-12-7-6-10-13(11-12)8-4-2-3-5-9-13/h12,14H,2-11H2,1H3
InChIKeyBKUUAQBVFNRWIB-UHFFFAOYSA-N
XLogP3.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methylspiro[5.6]dodecan-4-amine?
The IUPAC name of N-methylspiro[5.6]dodecan-4-amine (CID 170362418) is N-methylspiro[5.6]dodecan-4-amine.
What is the SMILES notation for N-methylspiro[5.6]dodecan-4-amine?
The canonical SMILES for N-methylspiro[5.6]dodecan-4-amine is CNC1CCCC2(CCCCCC2)C1.
What is the InChIKey of N-methylspiro[5.6]dodecan-4-amine?
The InChIKey is BKUUAQBVFNRWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-14-12-7-6-10-13(11-12)8-4-2-3-5-9-13/h12,14H,2-11H2,1H3.
What are the key properties of N-methylspiro[5.6]dodecan-4-amine?
N-methylspiro[5.6]dodecan-4-amine has a molecular weight of 195.35 g/mol, XLogP of 3.49, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylspiro[5.6]dodecan-4-amine is sourced from PubChem (CID 170362418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).