4-(aminomethyl)-N-methyl-N-propan-2-yl-1-azabicyclo[3.2.1]octan-4-amine

C12H25N3 — CID 105364972

IUPAC4-(aminomethyl)-N-methyl-N-propan-2-yl-1-azabicyclo[3.2.1]octan-4-amine
SMILESCC(C)N(C)C1(CN)CCN2CCC1C2
InChIInChI=1S/C12H25N3/c1-10(2)14(3)12(9-13)5-7-15-6-4-11(12)8-15/h10-11H,4-9,13H2,1-3H3
InChIKeyIOHJXPJYUXGEBL-UHFFFAOYSA-N
MW211.35 g/mol
LogP0.75
Rot. Bonds3

About 4-(aminomethyl)-N-methyl-N-propan-2-yl-1-azabicyclo[3.2.1]octan-4-amine

4-(aminomethyl)-N-methyl-N-propan-2-yl-1-azabicyclo[3.2.1]octan-4-amine (PubChem CID 105364972) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is 4-(aminomethyl)-N-methyl-N-propan-2-yl-1-azabicyclo[3.2.1]octan-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-methyl-N-propan-2-yl-1-azabicyclo[3.2.1]octan-4-amine
PubChem CID105364972
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC Name4-(aminomethyl)-N-methyl-N-propan-2-yl-1-azabicyclo[3.2.1]octan-4-amine
SMILESCC(C)N(C)C1(CN)CCN2CCC1C2
InChIInChI=1S/C12H25N3/c1-10(2)14(3)12(9-13)5-7-15-6-4-11(12)8-15/h10-11H,4-9,13H2,1-3H3
InChIKeyIOHJXPJYUXGEBL-UHFFFAOYSA-N
XLogP0.75
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Azabicyclo[3.2.1]octan-6-amine dihydrochloride
CID 165993150
1-{1-Azabicyclo[3.2.1]octan-6-yl}methanamine
CID 170914536
1-Azabicyclo[3.2.1]octan-6-amine
CID 55288950
1,4,6-Trimethyln-(2-pyrrolidinylethyl)-1,4-diazepane-6-amine
CID 171904768
4-(aminomethyl)-N-(2,2,2-trifluoroethyl)-1-azabicyclo[3.2.1]octan-4-amine
CID 105365225
4-(aminomethyl)-N-(2,2-difluoroethyl)-1-azabicyclo[3.2.1]octan-4-amine
CID 105365263
8-Fluoro-6,8-dimethyl-3,6-diazabicyclo[3.2.1]octane
CID 105431025
6-Ethyl-8-fluoro-8-methyl-3,6-diazabicyclo[3.2.1]octane
CID 105435253
8-Fluoro-6-propan-2-yl-3,6-diazabicyclo[3.2.1]octane
CID 105435254
6-Cyclopropyl-8-fluoro-8-methyl-3,6-diazabicyclo[3.2.1]octane
CID 105441286
8-Fluoro-8-methyl-6-propan-2-yl-3,6-diazabicyclo[3.2.1]octane
CID 105442285
6-Tert-butyl-8-fluoro-3,6-diazabicyclo[3.2.1]octane
CID 105442286

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-methyl-N-propan-2-yl-1-azabicyclo[3.2.1]octan-4-amine?
The IUPAC name of 4-(aminomethyl)-N-methyl-N-propan-2-yl-1-azabicyclo[3.2.1]octan-4-amine (CID 105364972) is 4-(aminomethyl)-N-methyl-N-propan-2-yl-1-azabicyclo[3.2.1]octan-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N-methyl-N-propan-2-yl-1-azabicyclo[3.2.1]octan-4-amine?
The canonical SMILES for 4-(aminomethyl)-N-methyl-N-propan-2-yl-1-azabicyclo[3.2.1]octan-4-amine is CC(C)N(C)C1(CN)CCN2CCC1C2.
What is the InChIKey of 4-(aminomethyl)-N-methyl-N-propan-2-yl-1-azabicyclo[3.2.1]octan-4-amine?
The InChIKey is IOHJXPJYUXGEBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3/c1-10(2)14(3)12(9-13)5-7-15-6-4-11(12)8-15/h10-11H,4-9,13H2,1-3H3.
What are the key properties of 4-(aminomethyl)-N-methyl-N-propan-2-yl-1-azabicyclo[3.2.1]octan-4-amine?
4-(aminomethyl)-N-methyl-N-propan-2-yl-1-azabicyclo[3.2.1]octan-4-amine has a molecular weight of 211.35 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-methyl-N-propan-2-yl-1-azabicyclo[3.2.1]octan-4-amine is sourced from PubChem (CID 105364972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).