1-(aminomethyl)-3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutan-1-amine

C12H24N2O — CID 103563191

IUPAC1-(aminomethyl)-3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutan-1-amine
SMILESC=C(C)COCCNC1(CN)CC(C)C1
InChIInChI=1S/C12H24N2O/c1-10(2)8-15-5-4-14-12(9-13)6-11(3)7-12/h11,14H,1,4-9,13H2,2-3H3
InChIKeyDCJZXNGXTVGLRJ-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.30
Rot. Bonds7

About 1-(aminomethyl)-3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutan-1-amine

1-(aminomethyl)-3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutan-1-amine (PubChem CID 103563191) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-(aminomethyl)-3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutan-1-amine
PubChem CID103563191
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1-(aminomethyl)-3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutan-1-amine
SMILESC=C(C)COCCNC1(CN)CC(C)C1
InChIInChI=1S/C12H24N2O/c1-10(2)8-15-5-4-14-12(9-13)6-11(3)7-12/h11,14H,1,4-9,13H2,2-3H3
InChIKeyDCJZXNGXTVGLRJ-UHFFFAOYSA-N
XLogP1.30
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6,6,6-trifluoro-2-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]hexane-1,2-diamine
CID 114466706
N-[2-(2-methylprop-2-enoxy)ethyl]-3-propan-2-ylcyclobutan-1-amine
CID 103562425
1-(aminomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]-3-propan-2-ylcyclobutan-1-amine
CID 103563190
3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutan-1-amine
CID 104859927
1-(aminomethyl)-3-ethoxy-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutan-1-amine
CID 106822338
1-(aminomethyl)-3-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutan-1-amine
CID 106822339
2-ethyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]pentane-1,2-diamine
CID 108422717
2-ethyl-4-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]hexane-1,2-diamine
CID 113589228
2-cyclopropyl-3-methoxy-2-N-[2-(2-methylprop-2-enoxy)ethyl]propane-1,2-diamine
CID 113589235
3-cyclobutyl-2-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]propane-1,2-diamine
CID 113589236
2-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]heptane-1,2-diamine
CID 113589253
1-(aminomethyl)-4-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexan-1-amine
CID 113589273

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutan-1-amine?
The IUPAC name of 1-(aminomethyl)-3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutan-1-amine (CID 103563191) is 1-(aminomethyl)-3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutan-1-amine?
The canonical SMILES for 1-(aminomethyl)-3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutan-1-amine is C=C(C)COCCNC1(CN)CC(C)C1.
What is the InChIKey of 1-(aminomethyl)-3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutan-1-amine?
The InChIKey is DCJZXNGXTVGLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-10(2)8-15-5-4-14-12(9-13)6-11(3)7-12/h11,14H,1,4-9,13H2,2-3H3.
What are the key properties of 1-(aminomethyl)-3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutan-1-amine?
1-(aminomethyl)-3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutan-1-amine has a molecular weight of 212.34 g/mol, XLogP of 1.30, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutan-1-amine is sourced from PubChem (CID 103563191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).