1-(aminomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]-3-propan-2-ylcyclobutan-1-amine

C14H28N2O — CID 103563190

IUPAC1-(aminomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]-3-propan-2-ylcyclobutan-1-amine
SMILESC=C(C)COCCNC1(CN)CC(C(C)C)C1
InChIInChI=1S/C14H28N2O/c1-11(2)9-17-6-5-16-14(10-15)7-13(8-14)12(3)4/h12-13,16H,1,5-10,15H2,2-4H3
InChIKeyAHRNLZROQYIMDB-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.93
Rot. Bonds8

About 1-(aminomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]-3-propan-2-ylcyclobutan-1-amine

1-(aminomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]-3-propan-2-ylcyclobutan-1-amine (PubChem CID 103563190) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]-3-propan-2-ylcyclobutan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]-3-propan-2-ylcyclobutan-1-amine
PubChem CID103563190
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name1-(aminomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]-3-propan-2-ylcyclobutan-1-amine
SMILESC=C(C)COCCNC1(CN)CC(C(C)C)C1
InChIInChI=1S/C14H28N2O/c1-11(2)9-17-6-5-16-14(10-15)7-13(8-14)12(3)4/h12-13,16H,1,5-10,15H2,2-4H3
InChIKeyAHRNLZROQYIMDB-UHFFFAOYSA-N
XLogP1.93
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.93
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-methoxyethyl)-3-propan-2-ylcyclobutan-1-amine
CID 103562848
1-(aminomethyl)-3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutan-1-amine
CID 103563191
2-ethyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]pentane-1,2-diamine
CID 108422717
1-(aminomethyl)-3-ethyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclopentan-1-amine
CID 113589208
1-(aminomethyl)-4-ethyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexan-1-amine
CID 113589217
1-(aminomethyl)-3-ethyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexan-1-amine
CID 113589221
2-ethyl-4-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]hexane-1,2-diamine
CID 113589228
1-(aminomethyl)-2-ethyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexan-1-amine
CID 113589232
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

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]-3-propan-2-ylcyclobutan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]-3-propan-2-ylcyclobutan-1-amine (CID 103563190) is 1-(aminomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]-3-propan-2-ylcyclobutan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]-3-propan-2-ylcyclobutan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]-3-propan-2-ylcyclobutan-1-amine is C=C(C)COCCNC1(CN)CC(C(C)C)C1.
What is the InChIKey of 1-(aminomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]-3-propan-2-ylcyclobutan-1-amine?
The InChIKey is AHRNLZROQYIMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-11(2)9-17-6-5-16-14(10-15)7-13(8-14)12(3)4/h12-13,16H,1,5-10,15H2,2-4H3.
What are the key properties of 1-(aminomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]-3-propan-2-ylcyclobutan-1-amine?
1-(aminomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]-3-propan-2-ylcyclobutan-1-amine has a molecular weight of 240.39 g/mol, XLogP of 1.93, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]-3-propan-2-ylcyclobutan-1-amine is sourced from PubChem (CID 103563190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).