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

4-(aminomethyl)-N-methyl-N-(4-methylpentan-2-yl)-1-azabicyclo[3.2.1]octan-4-amine
CID 105365091
4-(aminomethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105365185
4-(aminomethyl)-N-methyl-N-(4-methylphenyl)-1-azabicyclo[3.2.1]octan-4-amine
CID 105365124
4-(aminomethyl)-N-(4-methoxyphenyl)-N-methyl-1-azabicyclo[3.2.1]octan-4-amine
CID 105365117
4-(aminomethyl)-N-ethyl-N-(pyridin-4-ylmethyl)-1-azabicyclo[3.2.1]octan-4-amine
CID 105365076
1-(aminomethyl)-N-methyl-2-methylsulfonyl-N-propan-2-ylcyclopentan-1-amine
CID 65045921
2-[4-[4-(aminomethyl)-1-azabicyclo[3.2.1]octan-4-yl]piperazin-1-yl]-N,N-dimethylethanamine
CID 105365146
[4-(3,4-dimethoxypyrrolidin-1-yl)-1-azabicyclo[3.2.1]octan-4-yl]methanamine
CID 103531788
[4-(2,2,6-trimethylmorpholin-4-yl)-1-azabicyclo[3.2.1]octan-4-yl]methanamine
CID 105365112
3-(aminomethyl)-1-azabicyclo[2.2.1]heptan-3-ol;dihydrochloride
CID 70654199
1-(aminomethyl)-N-butan-2-yl-N-methyl-2,3,5,6,7,8-hexahydropyrrolizin-1-amine
CID 82853930
1-(aminomethyl)-N-methyl-N-(3-methylbutan-2-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-amine
CID 82853755

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).