3-methyl-1-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)imino]butan-2-amine

C13H25N3 — CID 91435891

IUPAC3-methyl-1-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)imino]butan-2-amine
SMILESCC(C)C(N)/C=N/C1CC2CCC(C1)N2C
InChIInChI=1S/C13H25N3/c1-9(2)13(14)8-15-10-6-11-4-5-12(7-10)16(11)3/h8-13H,4-7,14H2,1-3H3/b15-8+
InChIKeyHYCWOGYUYIODNG-OVCLIPMQSA-N
MW223.36 g/mol
LogP1.67
Rot. Bonds3

About 3-methyl-1-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)imino]butan-2-amine

3-methyl-1-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)imino]butan-2-amine (PubChem CID 91435891) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 3-methyl-1-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)imino]butan-2-amine.

Molecular Properties

Compound Name3-methyl-1-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)imino]butan-2-amine
PubChem CID91435891
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name3-methyl-1-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)imino]butan-2-amine
SMILESCC(C)C(N)/C=N/C1CC2CCC(C1)N2C
InChIInChI=1S/C13H25N3/c1-9(2)13(14)8-15-10-6-11-4-5-12(7-10)16(11)3/h8-13H,4-7,14H2,1-3H3/b15-8+
InChIKeyHYCWOGYUYIODNG-OVCLIPMQSA-N
XLogP1.67
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)imino]butan-2-amine?
The IUPAC name of 3-methyl-1-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)imino]butan-2-amine (CID 91435891) is 3-methyl-1-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)imino]butan-2-amine.
What is the SMILES notation for 3-methyl-1-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)imino]butan-2-amine?
The canonical SMILES for 3-methyl-1-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)imino]butan-2-amine is CC(C)C(N)/C=N/C1CC2CCC(C1)N2C.
What is the InChIKey of 3-methyl-1-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)imino]butan-2-amine?
The InChIKey is HYCWOGYUYIODNG-OVCLIPMQSA-N. The full InChI is InChI=1S/C13H25N3/c1-9(2)13(14)8-15-10-6-11-4-5-12(7-10)16(11)3/h8-13H,4-7,14H2,1-3H3/b15-8+.
What are the key properties of 3-methyl-1-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)imino]butan-2-amine?
3-methyl-1-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)imino]butan-2-amine has a molecular weight of 223.36 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)imino]butan-2-amine is sourced from PubChem (CID 91435891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).