4-(aminomethyl)-N-(2-methylprop-2-enyl)-1-azabicyclo[3.2.1]octan-4-amine

C12H23N3 — CID 105365307

IUPAC4-(aminomethyl)-N-(2-methylprop-2-enyl)-1-azabicyclo[3.2.1]octan-4-amine
SMILESC=C(C)CNC1(CN)CCN2CCC1C2
InChIInChI=1S/C12H23N3/c1-10(2)7-14-12(9-13)4-6-15-5-3-11(12)8-15/h11,14H,1,3-9,13H2,2H3
InChIKeyOAUPBTFWYZSYIA-UHFFFAOYSA-N
MW209.34 g/mol
LogP0.58
Rot. Bonds4

About 4-(aminomethyl)-N-(2-methylprop-2-enyl)-1-azabicyclo[3.2.1]octan-4-amine

4-(aminomethyl)-N-(2-methylprop-2-enyl)-1-azabicyclo[3.2.1]octan-4-amine (PubChem CID 105365307) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2-methylprop-2-enyl)-1-azabicyclo[3.2.1]octan-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2-methylprop-2-enyl)-1-azabicyclo[3.2.1]octan-4-amine
PubChem CID105365307
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name4-(aminomethyl)-N-(2-methylprop-2-enyl)-1-azabicyclo[3.2.1]octan-4-amine
SMILESC=C(C)CNC1(CN)CCN2CCC1C2
InChIInChI=1S/C12H23N3/c1-10(2)7-14-12(9-13)4-6-15-5-3-11(12)8-15/h11,14H,1,3-9,13H2,2H3
InChIKeyOAUPBTFWYZSYIA-UHFFFAOYSA-N
XLogP0.58
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(aminomethyl)-N-pent-3-ynyl-1-azabicyclo[3.2.1]octan-4-amine
CID 105365301
4-(aminomethyl)-N-but-3-ynyl-1-azabicyclo[3.2.1]octan-4-amine
CID 105365300
[4-(cyclopropylmethylamino)-1-azabicyclo[3.2.1]octan-4-yl]methanol
CID 105366063
1-(aminomethyl)-2-methoxy-N-(2-methylprop-2-enyl)cyclohexan-1-amine
CID 106872782
1-(aminomethyl)-N-(2-methylprop-2-enyl)-2-propan-2-ylcyclohexan-1-amine
CID 114616224
4-(aminomethyl)-N-(2-methoxyphenyl)-1-azabicyclo[3.2.1]octan-4-amine
CID 105365215
ethyl 2-[4-(methylamino)-1-azabicyclo[3.2.1]octan-4-yl]acetate
CID 105366232
4-(aminomethyl)-N-(2-chloro-5-fluorophenyl)-1-azabicyclo[3.2.1]octan-4-amine
CID 107527940
[4-(3,4-dimethoxypyrrolidin-1-yl)-1-azabicyclo[3.2.1]octan-4-yl]methanamine
CID 103531788
3-(aminomethyl)-N-(2-methylpropyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 65383711
4-(aminomethyl)-N-methyl-N-propan-2-yl-1-azabicyclo[3.2.1]octan-4-amine
CID 105364972
1-(aminomethyl)-3-ethyl-N-(2-methylprop-2-enyl)cyclopentan-1-amine
CID 114616252

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2-methylprop-2-enyl)-1-azabicyclo[3.2.1]octan-4-amine?
The IUPAC name of 4-(aminomethyl)-N-(2-methylprop-2-enyl)-1-azabicyclo[3.2.1]octan-4-amine (CID 105365307) is 4-(aminomethyl)-N-(2-methylprop-2-enyl)-1-azabicyclo[3.2.1]octan-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N-(2-methylprop-2-enyl)-1-azabicyclo[3.2.1]octan-4-amine?
The canonical SMILES for 4-(aminomethyl)-N-(2-methylprop-2-enyl)-1-azabicyclo[3.2.1]octan-4-amine is C=C(C)CNC1(CN)CCN2CCC1C2.
What is the InChIKey of 4-(aminomethyl)-N-(2-methylprop-2-enyl)-1-azabicyclo[3.2.1]octan-4-amine?
The InChIKey is OAUPBTFWYZSYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-10(2)7-14-12(9-13)4-6-15-5-3-11(12)8-15/h11,14H,1,3-9,13H2,2H3.
What are the key properties of 4-(aminomethyl)-N-(2-methylprop-2-enyl)-1-azabicyclo[3.2.1]octan-4-amine?
4-(aminomethyl)-N-(2-methylprop-2-enyl)-1-azabicyclo[3.2.1]octan-4-amine has a molecular weight of 209.34 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2-methylprop-2-enyl)-1-azabicyclo[3.2.1]octan-4-amine is sourced from PubChem (CID 105365307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).