1-cyclobutyl-N-[(E)-2-cyclobutylethylideneamino]methanamine

C11H20N2 — CID 130177968

IUPAC1-cyclobutyl-N-[(E)-2-cyclobutylethylideneamino]methanamine
SMILESC(\CC1CCC1)=N/NCC1CCC1
InChIInChI=1S/C11H20N2/c1-3-10(4-1)7-8-12-13-9-11-5-2-6-11/h8,10-11,13H,1-7,9H2/b12-8+
InChIKeyMYXGSPYYKQPSSM-XYOKQWHBSA-N
MW180.29 g/mol
LogP2.55
Rot. Bonds5

About 1-cyclobutyl-N-[(E)-2-cyclobutylethylideneamino]methanamine

1-cyclobutyl-N-[(E)-2-cyclobutylethylideneamino]methanamine (PubChem CID 130177968) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 1-cyclobutyl-N-[(E)-2-cyclobutylethylideneamino]methanamine.

Molecular Properties

Compound Name1-cyclobutyl-N-[(E)-2-cyclobutylethylideneamino]methanamine
PubChem CID130177968
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name1-cyclobutyl-N-[(E)-2-cyclobutylethylideneamino]methanamine
SMILESC(\CC1CCC1)=N/NCC1CCC1
InChIInChI=1S/C11H20N2/c1-3-10(4-1)7-8-12-13-9-11-5-2-6-11/h8,10-11,13H,1-7,9H2/b12-8+
InChIKeyMYXGSPYYKQPSSM-XYOKQWHBSA-N
XLogP2.55
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-cyclobutyl-N-(cyclobutylmethyl)methanamine
CID 54206114
1-cyclobutyl-N-(cyclobutylmethyl)methanamine;hydrochloride
CID 134690905
N-(cyclobutylmethyl)ethenamine
CID 144516368
2-cyclobutylethanethial
CID 58279661
cyclobutylmethylhydrazine;dihydrochloride
CID 56604638
N-(cyclobutylmethyl)cyclobutanamine
CID 57306046
(cyclobutylmethylamino) formate
CID 174851164
2-cyclobutyl-N-(2-methylprop-1-enyl)ethanimine;propane
CID 142361187
N-(chloromethyl)-1-cyclopentylmethanamine
CID 115263105
2-(cyclobutylmethyl)-1,1-dimethylhydrazine
CID 83003998
N-(cyclobutylmethyl)cycloheptanamine
CID 43298514
4-[(cyclobutylmethylamino)methyl]cyclohexan-1-amine
CID 115213461

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-N-[(E)-2-cyclobutylethylideneamino]methanamine?
The IUPAC name of 1-cyclobutyl-N-[(E)-2-cyclobutylethylideneamino]methanamine (CID 130177968) is 1-cyclobutyl-N-[(E)-2-cyclobutylethylideneamino]methanamine.
What is the SMILES notation for 1-cyclobutyl-N-[(E)-2-cyclobutylethylideneamino]methanamine?
The canonical SMILES for 1-cyclobutyl-N-[(E)-2-cyclobutylethylideneamino]methanamine is C(\CC1CCC1)=N/NCC1CCC1.
What is the InChIKey of 1-cyclobutyl-N-[(E)-2-cyclobutylethylideneamino]methanamine?
The InChIKey is MYXGSPYYKQPSSM-XYOKQWHBSA-N. The full InChI is InChI=1S/C11H20N2/c1-3-10(4-1)7-8-12-13-9-11-5-2-6-11/h8,10-11,13H,1-7,9H2/b12-8+.
What are the key properties of 1-cyclobutyl-N-[(E)-2-cyclobutylethylideneamino]methanamine?
1-cyclobutyl-N-[(E)-2-cyclobutylethylideneamino]methanamine has a molecular weight of 180.29 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-N-[(E)-2-cyclobutylethylideneamino]methanamine is sourced from PubChem (CID 130177968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).