5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentan-2-amine

C13H27N3 — CID 79175495

IUPAC5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentan-2-amine
SMILESCC(N)CCCN1CCC2CCC(C1)N2C
InChIInChI=1S/C13H27N3/c1-11(14)4-3-8-16-9-7-12-5-6-13(10-16)15(12)2/h11-13H,3-10,14H2,1-2H3
InChIKeyHOJCWLZPNDPVRG-UHFFFAOYSA-N
MW225.38 g/mol
LogP1.28
Rot. Bonds4

About 5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentan-2-amine

5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentan-2-amine (PubChem CID 79175495) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is 5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentan-2-amine.

Molecular Properties

Compound Name5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentan-2-amine
PubChem CID79175495
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentan-2-amine
SMILESCC(N)CCCN1CCC2CCC(C1)N2C
InChIInChI=1S/C13H27N3/c1-11(14)4-3-8-16-9-7-12-5-6-13(10-16)15(12)2/h11-13H,3-10,14H2,1-2H3
InChIKeyHOJCWLZPNDPVRG-UHFFFAOYSA-N
XLogP1.28
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-7-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)heptan-2-amine
CID 79170849
5-(3-piperidin-1-ylpyrrolidin-1-yl)pentan-2-amine
CID 63169480
3-(4-bromobutyl)-9-methyl-3,9-diazabicyclo[4.2.1]nonane
CID 79175266
6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-propylhexan-1-amine
CID 79170128
5-(3-methoxypyrrolidin-1-yl)pentan-2-amine
CID 103532229
5-[3-(methoxymethyl)pyrrolidin-1-yl]pentan-2-amine
CID 64570689
N-methyl-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentan-1-amine
CID 79171030
1-amino-2-methyl-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentan-2-ol
CID 79171055
2-amino-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-ol
CID 79170623
3-(aminomethyl)-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)hexan-3-ol
CID 106811396
N-ethyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanamine
CID 79174779
5-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pentan-2-amine
CID 81199860

Frequently Asked Questions

What is the IUPAC name of 5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentan-2-amine?
The IUPAC name of 5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentan-2-amine (CID 79175495) is 5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentan-2-amine.
What is the SMILES notation for 5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentan-2-amine?
The canonical SMILES for 5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentan-2-amine is CC(N)CCCN1CCC2CCC(C1)N2C.
What is the InChIKey of 5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentan-2-amine?
The InChIKey is HOJCWLZPNDPVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-11(14)4-3-8-16-9-7-12-5-6-13(10-16)15(12)2/h11-13H,3-10,14H2,1-2H3.
What are the key properties of 5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentan-2-amine?
5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentan-2-amine has a molecular weight of 225.38 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentan-2-amine is sourced from PubChem (CID 79175495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).