3-methyl-N-spiro[3.5]nonan-3-ylpyrrolidin-3-amine

C14H26N2 — CID 107424009

IUPAC3-methyl-N-spiro[3.5]nonan-3-ylpyrrolidin-3-amine
SMILESCC1(NC2CCC23CCCCC3)CCNC1
InChIInChI=1S/C14H26N2/c1-13(9-10-15-11-13)16-12-5-8-14(12)6-3-2-4-7-14/h12,15-16H,2-11H2,1H3
InChIKeyNRQKLRBJHWBOSE-UHFFFAOYSA-N
MW222.38 g/mol
LogP2.44
Rot. Bonds2

About 3-methyl-N-spiro[3.5]nonan-3-ylpyrrolidin-3-amine

3-methyl-N-spiro[3.5]nonan-3-ylpyrrolidin-3-amine (PubChem CID 107424009) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 3-methyl-N-spiro[3.5]nonan-3-ylpyrrolidin-3-amine.

Molecular Properties

Compound Name3-methyl-N-spiro[3.5]nonan-3-ylpyrrolidin-3-amine
PubChem CID107424009
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name3-methyl-N-spiro[3.5]nonan-3-ylpyrrolidin-3-amine
SMILESCC1(NC2CCC23CCCCC3)CCNC1
InChIInChI=1S/C14H26N2/c1-13(9-10-15-11-13)16-12-5-8-14(12)6-3-2-4-7-14/h12,15-16H,2-11H2,1H3
InChIKeyNRQKLRBJHWBOSE-UHFFFAOYSA-N
XLogP2.44
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-spiro[3.5]nonan-3-ylpyrrolidin-3-amine?
The IUPAC name of 3-methyl-N-spiro[3.5]nonan-3-ylpyrrolidin-3-amine (CID 107424009) is 3-methyl-N-spiro[3.5]nonan-3-ylpyrrolidin-3-amine.
What is the SMILES notation for 3-methyl-N-spiro[3.5]nonan-3-ylpyrrolidin-3-amine?
The canonical SMILES for 3-methyl-N-spiro[3.5]nonan-3-ylpyrrolidin-3-amine is CC1(NC2CCC23CCCCC3)CCNC1.
What is the InChIKey of 3-methyl-N-spiro[3.5]nonan-3-ylpyrrolidin-3-amine?
The InChIKey is NRQKLRBJHWBOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-13(9-10-15-11-13)16-12-5-8-14(12)6-3-2-4-7-14/h12,15-16H,2-11H2,1H3.
What are the key properties of 3-methyl-N-spiro[3.5]nonan-3-ylpyrrolidin-3-amine?
3-methyl-N-spiro[3.5]nonan-3-ylpyrrolidin-3-amine has a molecular weight of 222.38 g/mol, XLogP of 2.44, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-spiro[3.5]nonan-3-ylpyrrolidin-3-amine is sourced from PubChem (CID 107424009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).